HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Octen-2-ol, (3Z)-
(Z)-3-Octen-2-ol · 3-Octen-2-ol, (3Z)-
Identifiers & Physical Properties
| CAS No. | 69668-89-9 |
|---|---|
| Molecular formula | C8H16O |
| Average molar mass | 128.21 g/mol |
| Monoisotopic mass | 128.12011513 g/mol |
| SMILES | CCCC/C=C\C(C)O |
| InChIKey | YJJIVDCKSZMHGZ-SREVYHEPSA-N |
| PubChem CID | 5367533 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 4 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 76.6 |
| Boiling point | 88.5-89.5 °C(Press: 26 Torr) |
| Density | 0.8347 g/cm3(Temp: 21 °C) |
| pKa (acidity coefficient) | 14.52±0.20(Predicted) |
| FDA UNII | Q5077S1B6J |