HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[4-(4-Pentylbicyclo[2.2.2]octyl)phenyl]cyclohexanone
![4-[4-(4-Pentylbicyclo[2.2.2]octyl)phenyl]cyclohexanone molecular structure](/img/chemical/21257793.png)
Identifiers & Physical Properties
| Molecular formula | C25H36O |
|---|---|
| Average molar mass | 352.6 g/mol |
| SMILES | CCCCCC12CCC(c3ccc(C4CCC(=O)CC4)cc3)(CC1)CC2 |
| InChIKey | XUHJNFPKJYENPV-UHFFFAOYSA-N |
| PubChem CID | 21257793 |
Chemical & Physical Properties
| XLogP | 7.8 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 6 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 450 |