HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3-Epoxydeca-4,6,8-triyn-1-ol
2,3-Epoxydeca-4,6,8-triyn-1-ol · Oxiranemethanol, 3-(1,3,5-heptatriynyl)-, trans-(-)- (9CI)
Identifiers & Physical Properties
| CAS No. | 155934-76-2 |
|---|---|
| Molecular formula | C10H8O2 |
| Average molar mass | 160.17 g/mol |
| Monoisotopic mass | 160.05242949 g/mol |
| SMILES | CC#CC#CC#C[C@H]1O[C@@H]1CO |
| InChIKey | DLTRTPLJAAMGPB-NXEZZACHSA-N |
| PubChem CID | 190823 |
| DTXSID | DTXSID10165997 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 32.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 354 |
| Boiling point | 305.935±52.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.230±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 14.438±0.10(predicted) |