HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isomyocorene
α-Hymentherene · 2,6-Dimethyl-1,3,7-octatriene
Identifiers & Physical Properties
| CAS No. | 6876-07-9 |
|---|---|
| Molecular formula | C10H16 |
| Average molar mass | 136.23 g/mol |
| Monoisotopic mass | 136.12520051 g/mol |
| SMILES | C=CC(C)C/C=C/C(=C)C |
| InChIKey | JWMIAIJDECOUIA-VOTSOKGWSA-N |
| PubChem CID | 5367571 |
| DTXSID | DTXSID501020816 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 4 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 140 |
| Boiling point | 165.570±10.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 0.767±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| LogP (partition coefficient) | 4.077 (est) |