Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(C)CO- InChIKey
DMNPDGLMNXDSPT-UHFFFAOYSA-N- Molecular formula
- C18H38O
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.29226584
Names & identifiers
- Preferred name
- 2-Methylheptadecan-1-ol
- IUPAC
- 2-methylheptadecan-1-ol
- English name
- 2-methylheptadecan-1-ol
- Molecular formula
- C18H38O
- Molecular weight
- 270.49372
Names & synonyms
2-Methylheptadecan-1-ol2490-42-82-methyl-1-heptadecanolEINECS 219-645-62-methylheptadecanolSCHEMBL7589302DTXSID10947790NS000468271-Heptadecanol, 2-methyl-
Database identifiers
- CAS
2490-42-8- PubChem CID
- 102829
- DTXSID
DTXSID10947790- EC Number
- 219-645-6
- Nikkaji
- J191.978D
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 331.6 · 331.6±10.0 °C(Predicted)
- Density
- 0.836 · 0.836±0.06 g/cm3(Predicted)
- pka
- 15.04 · 15.04±0.10(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
2 records
Linked notes
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