HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(3,5,5-Trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
Einecs 260-487-2 · 1-(3,5,5-Trimethyl-1-cyclohexen-1-yl)-4-penten-1-one · 1-(3,5,5-trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
Identifiers & Physical Properties
| CAS No. | 56974-03-9 |
|---|---|
| Molecular formula | C14H22O |
| Average molar mass | 206.32 g/mol |
| Monoisotopic mass | 206.16706532 g/mol |
| SMILES | C=CCCC(=O)C1=CC(C)CC(C)(C)C1 |
| InChIKey | YSSPNGUMZKBWDM-UHFFFAOYSA-N |
| PubChem CID | 92607 |
| EC No. | 260-487-2 |
| DTXSID | DTXSID00972450 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 284 |