{"slug":"alkane-isomers","title":"List of isomers of alkanes","shortTitle":"Alkane isomers","description":"A focused list of alkane structural isomers with formulas, names, SMILES, and source identifiers.","seoTitle":"List of alkane isomer molecules","seoDescription":"Browse alkane isomers from methane through hexane examples with molecular formulas, structures, SMILES strings, and downloadable data.","keywords":["list of isomers of alkanes","alkane isomers list"],"aliases":["list-of-isomers-of-alkanes","alkane-isomers-list"],"updatedAt":"2026-05-02","audience":"Students and cheminformatics users who need canonical examples of structural isomerism in saturated hydrocarbons.","methodology":"The starter list covers low-carbon alkanes and named structural isomers. PubChem identifiers anchor each molecule, while RDKit or Open Babel can canonicalize larger generated isomer sets.","expansionPlan":"Generate complete isomer sets by formula using cheminformatics enumeration, then validate names and identifiers against PubChem before publishing larger downloads.","sources":[{"name":"PubChem","url":"https://pubchem.ncbi.nlm.nih.gov/","role":"Canonical compound identifiers, names, formulas, structures, SMILES, and downloadable compound records.","licenseNote":"NCBI places no restrictions on PubChem data, though original submitters may retain rights in submitted records."},{"name":"NIST Chemistry WebBook","url":"https://webbook.nist.gov/chemistry/","role":"Reference physical chemistry data and diatomic constants for selected species.","licenseNote":"NIST SRD 69 should be cited and linked rather than mirrored wholesale."},{"name":"RDKit","url":"https://www.rdkit.org/","role":"Derived descriptors such as molecular weight, LogP, TPSA, hydrogen-bond counts, and canonicalized structures."}],"columns":[{"key":"name","label":"Name"},{"key":"formula","label":"Formula"},{"key":"molecularWeight","label":"MW (g/mol)"},{"key":"category","label":"Category"},{"key":"smiles","label":"SMILES"},{"key":"pubchemCid","label":"PubChem CID"},{"key":"sourceIds","label":"Source IDs"},{"key":"notes","label":"Notes"}],"rows":[{"id":"methane","name":"Methane","formula":"CH4","category":"C1 alkane","smiles":"C","pubchemCid":"297","sourceIds":["PubChem CID 297"],"molecularWeight":16.04},{"id":"ethane","name":"Ethane","formula":"C2H6","category":"C2 alkane","smiles":"CC","pubchemCid":"6324","sourceIds":["PubChem CID 6324"],"molecularWeight":30.07},{"id":"propane","name":"Propane","formula":"C3H8","category":"C3 alkane","smiles":"CCC","pubchemCid":"6334","sourceIds":["PubChem CID 6334"],"molecularWeight":44.1},{"id":"n-butane","name":"n-Butane","formula":"C4H10","category":"C4 alkane isomer","smiles":"CCCC","pubchemCid":"7843","sourceIds":["PubChem CID 7843"],"molecularWeight":58.12},{"id":"isobutane","name":"Isobutane","formula":"C4H10","category":"C4 alkane isomer","smiles":"CC(C)C","pubchemCid":"6360","sourceIds":["PubChem CID 6360"],"molecularWeight":58.12},{"id":"n-pentane","name":"n-Pentane","formula":"C5H12","category":"C5 alkane isomer","smiles":"CCCCC","pubchemCid":"8003","sourceIds":["PubChem CID 8003"],"molecularWeight":72.15},{"id":"isopentane","name":"Isopentane","formula":"C5H12","category":"C5 alkane isomer","smiles":"CCC(C)C","pubchemCid":"6556","sourceIds":["PubChem CID 6556"],"molecularWeight":72.15},{"id":"neopentane","name":"Neopentane","formula":"C5H12","category":"C5 alkane isomer","smiles":"CC(C)(C)C","pubchemCid":"10041","sourceIds":["PubChem CID 10041"],"molecularWeight":72.15},{"id":"n-hexane","name":"n-Hexane","formula":"C6H14","category":"C6 alkane isomer","smiles":"CCCCCC","pubchemCid":"8058","sourceIds":["PubChem CID 8058"],"molecularWeight":86.18},{"id":"2-methylpentane","name":"2-Methylpentane","formula":"C6H14","category":"C6 alkane isomer","smiles":"CCCC(C)C","pubchemCid":"7892","sourceIds":["PubChem CID 7892"],"molecularWeight":86.18},{"id":"3-methylpentane","name":"3-Methylpentane","formula":"C6H14","category":"C6 alkane isomer","smiles":"CCC(C)CC","pubchemCid":"7282","sourceIds":["PubChem CID 7282"],"molecularWeight":86.18},{"id":"2-2-dimethylbutane","name":"2,2-Dimethylbutane","formula":"C6H14","category":"C6 alkane isomer","smiles":"CCC(C)(C)C","pubchemCid":"6403","sourceIds":["PubChem CID 6403"],"molecularWeight":86.18},{"id":"2-3-dimethylbutane","name":"2,3-Dimethylbutane","formula":"C6H14","category":"C6 alkane isomer","smiles":"CC(C)C(C)C","pubchemCid":"6589","sourceIds":["PubChem CID 6589"],"molecularWeight":86.18},{"id":"n-heptane","name":"n-Heptane","formula":"C7H16","category":"C7 alkane isomer","smiles":"CCCCCCC","pubchemCid":"8900","sourceIds":["PubChem CID 8900"],"molecularWeight":100.21},{"id":"2-methylhexane","name":"2-Methylhexane","formula":"C7H16","category":"C7 alkane isomer","smiles":"CCCCC(C)C","pubchemCid":"11582","sourceIds":["PubChem CID 11582"],"molecularWeight":100.21},{"id":"3-methylhexane","name":"3-Methylhexane","formula":"C7H16","category":"C7 alkane isomer","smiles":"CCCC(C)CC","pubchemCid":"11507","sourceIds":["PubChem CID 11507"],"molecularWeight":100.21},{"id":"3-ethylpentane","name":"3-Ethylpentane","formula":"C7H16","category":"C7 alkane isomer","smiles":"CCC(CC)CC","pubchemCid":"12048","sourceIds":["PubChem CID 12048"],"molecularWeight":100.21},{"id":"2-2-dimethylpentane","name":"2,2-Dimethylpentane","formula":"C7H16","category":"C7 alkane isomer","smiles":"CCCC(C)(C)C","pubchemCid":"11542","sourceIds":["PubChem CID 11542"],"molecularWeight":100.21},{"id":"2-3-dimethylpentane","name":"2,3-Dimethylpentane","formula":"C7H16","category":"C7 alkane 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356"],"molecularWeight":114.23},{"id":"2-methylheptane","name":"2-Methylheptane","formula":"C8H18","category":"C8 alkane isomer","smiles":"CCCCCC(C)C","pubchemCid":"11594","sourceIds":["PubChem CID 11594"],"molecularWeight":114.23},{"id":"3-methylheptane","name":"3-Methylheptane","formula":"C8H18","category":"C8 alkane isomer","smiles":"CCCCC(C)CC","pubchemCid":"11519","sourceIds":["PubChem CID 11519"],"molecularWeight":114.23},{"id":"4-methylheptane","name":"4-Methylheptane","formula":"C8H18","category":"C8 alkane isomer","smiles":"CCCC(C)CCC","pubchemCid":"11512","sourceIds":["PubChem CID 11512"],"molecularWeight":114.23},{"id":"3-ethylhexane","name":"3-Ethylhexane","formula":"C8H18","category":"C8 alkane isomer","smiles":"CCCC(CC)CC","pubchemCid":"12096","sourceIds":["PubChem CID 12096"],"molecularWeight":114.23},{"id":"2-2-dimethylhexane","name":"2,2-Dimethylhexane","formula":"C8H18","category":"C8 alkane isomer","smiles":"CCCCC(C)(C)C","pubchemCid":"11551","sourceIds":["PubChem CID 11551"],"molecularWeight":114.23},{"id":"2-3-dimethylhexane","name":"2,3-Dimethylhexane","formula":"C8H18","category":"C8 alkane isomer","smiles":"CCCC(C)C(C)C","pubchemCid":"11447","sourceIds":["PubChem CID 11447"],"molecularWeight":114.23},{"id":"2-4-dimethylhexane","name":"2,4-Dimethylhexane","formula":"C8H18","category":"C8 alkane isomer","smiles":"CCC(C)CC(C)C","pubchemCid":"11511","sourceIds":["PubChem CID 11511"],"molecularWeight":114.23},{"id":"2-5-dimethylhexane","name":"2,5-Dimethylhexane","formula":"C8H18","category":"C8 alkane isomer","smiles":"CC(C)CCC(C)C","pubchemCid":"11592","sourceIds":["PubChem CID 11592"],"molecularWeight":114.23},{"id":"3-3-dimethylhexane","name":"3,3-Dimethylhexane","formula":"C8H18","category":"C8 alkane isomer","smiles":"CCCC(C)(C)CC","pubchemCid":"11233","sourceIds":["PubChem CID 11233"],"molecularWeight":114.23},{"id":"3-4-dimethylhexane","name":"3,4-Dimethylhexane","formula":"C8H18","category":"C8 alkane 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12388"],"molecularWeight":184.37},{"id":"tetradecane","name":"Tetradecane","formula":"C14H30","category":"Linear alkane","smiles":"CCCCCCCCCCCCCC","pubchemCid":"12389","sourceIds":["PubChem CID 12389"],"molecularWeight":198.39},{"id":"pentadecane","name":"Pentadecane","formula":"C15H32","category":"Linear alkane","smiles":"CCCCCCCCCCCCCCC","pubchemCid":"12391","sourceIds":["PubChem CID 12391"],"molecularWeight":212.42},{"id":"hexadecane","name":"Hexadecane","formula":"C16H34","category":"Linear alkane","smiles":"CCCCCCCCCCCCCCCC","pubchemCid":"11006","sourceIds":["PubChem CID 11006"],"molecularWeight":226.45},{"id":"heptadecane","name":"Heptadecane","formula":"C17H36","category":"Linear alkane","smiles":"CCCCCCCCCCCCCCCCC","pubchemCid":"12398","sourceIds":["PubChem CID 12398"],"molecularWeight":240.47},{"id":"octadecane","name":"Octadecane","formula":"C18H38","category":"Linear alkane","smiles":"CCCCCCCCCCCCCCCCCC","pubchemCid":"11635","sourceIds":["PubChem CID 11635"],"molecularWeight":254.5},{"id":"nonadecane","name":"Nonadecane","formula":"C19H40","category":"Linear alkane","smiles":"CCCCCCCCCCCCCCCCCCC","pubchemCid":"12401","sourceIds":["PubChem CID 12401"],"molecularWeight":268.53},{"id":"eicosane","name":"Eicosane","formula":"C20H42","category":"Linear alkane","smiles":"CCCCCCCCCCCCCCCCCCCC","pubchemCid":"8222","sourceIds":["PubChem CID 8222"],"molecularWeight":282.56},{"id":"2-methyloctane","name":"2-Methyloctane","formula":"C9H20","category":"Methylalkane isomer","smiles":"CCCCCCC(C)C","pubchemCid":"18591","sourceIds":["PubChem CID 18591"],"molecularWeight":128.26},{"id":"3-methyloctane","name":"3-Methyloctane","formula":"C9H20","category":"Methylalkane isomer","smiles":"CCCCCC(C)CC","pubchemCid":"16664","sourceIds":["PubChem CID 16664"],"molecularWeight":128.26},{"id":"4-methyloctane","name":"4-Methyloctane","formula":"C9H20","category":"Methylalkane isomer","smiles":"CCCCC(C)CCC","pubchemCid":"16665","sourceIds":["PubChem CID 16665"],"molecularWeight":128.26},{"id":"2-methylnonane","name":"2-Methylnonane","formula":"C10H22","category":"Methylalkane isomer","smiles":"CCCCCCCC(C)C","pubchemCid":"13379","sourceIds":["PubChem CID 13379"],"molecularWeight":142.29},{"id":"3-methylnonane","name":"3-Methylnonane","formula":"C10H22","category":"Methylalkane isomer","smiles":"CCCCCCC(C)CC","pubchemCid":"22202","sourceIds":["PubChem CID 22202"],"molecularWeight":142.29},{"id":"4-methylnonane","name":"4-Methylnonane","formula":"C10H22","category":"Methylalkane isomer","smiles":"CCCCCC(C)CCC","pubchemCid":"28455","sourceIds":["PubChem CID 28455"],"molecularWeight":142.29},{"id":"5-methylnonane","name":"5-Methylnonane","formula":"C10H22","category":"Methylalkane isomer","smiles":"CCCCC(C)CCCC","pubchemCid":"27518","sourceIds":["PubChem CID 27518"],"molecularWeight":142.29},{"id":"2-methyldecane","name":"2-Methyldecane","formula":"C11H24","category":"Methylalkane 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23459"],"molecularWeight":170.34},{"id":"3-methylundecane","name":"3-Methylundecane","formula":"C12H26","category":"Methylalkane isomer","smiles":"CCCCCCCCC(C)CC","pubchemCid":"13845","sourceIds":["PubChem CID 13845"],"molecularWeight":170.34},{"id":"4-methylundecane","name":"4-Methylundecane","formula":"C12H26","category":"Methylalkane isomer","smiles":"CCCCCCCC(C)CCC","pubchemCid":"520454","sourceIds":["PubChem CID 520454"],"molecularWeight":170.34},{"id":"5-methylundecane","name":"5-Methylundecane","formula":"C12H26","category":"Methylalkane isomer","smiles":"CCCCCCC(C)CCCC","pubchemCid":"94213","sourceIds":["PubChem CID 94213"],"molecularWeight":170.34},{"id":"2-methyldodecane","name":"2-Methyldodecane","formula":"C13H28","category":"Methylalkane isomer","smiles":"CCCCCCCCCCC(C)C","pubchemCid":"15270","sourceIds":["PubChem CID 15270"],"molecularWeight":184.37},{"id":"3-methyldodecane","name":"3-Methyldodecane","formula":"C13H28","category":"Methylalkane 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