HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isoheptadecanol
15-methyl-1-hexadecanol · 15-methylhexadecan-1-ol · 1-Hexadecanol, 15-methyl- · 15-methyl hexadecan-1-ol（WS204656）
Identifiers & Physical Properties
| CAS No. | 51166-20-2 |
|---|---|
| Molecular formula | C17H36O |
| Average molar mass | 256.5 g/mol |
| Monoisotopic mass | 256.27661577 g/mol |
| SMILES | CC(C)CCCCCCCCCCCCCCO |
| InChIKey | VWIXGTHYBZXAPS-UHFFFAOYSA-N |
| PubChem CID | 558024 |
| ChEBI | CHEBI:77434 |
| DTXSID | DTXSID30339714 |
Chemical & Physical Properties
| XLogP | 7.5 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 14 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 143 |
| Lipids | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| Melting point | 36-38 °C |
| Boiling point | 156 °C(Press: 0.5 Torr) |
| Density | 0.835±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 15.20±0.10(Predicted) |