| Phytochemical Name : 2,6,6-Trimethylcyclohexa-2,4-dienone |
| PCNDIDOT0540 |
| Pubchem CID : 83528 |
| Molecular formula: C9H12O |
| Canonical SMILES : CC1=CC=CC(C1=O)(C)C |
Synonymes : 2,6,6-Trimethylcyclohexa-2,4-dienone|13487-30-4|2,6,6-trimethylcyclohexa-2,4-dien-1-one|EINECS 236-800-3|9P4Y3R5UZS|2,4-cyclohexadien-1-one, 2,6,6-trimethyl-|UNII-9P4Y3R5UZS|2,6,6-trimethylcyclohexadienone|SCHEMBL10798714|DTXSID20159004|2,6,6-trimethyl-2,4-cyclohexadienone|2,6,6-Trimethyl-2,4-cyclohexadien-1-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.120 |
| Log Po/w (XLOGP3) : 2.340 |
| Log Po/w (WLOGP) : 2.100 |
| Log Po/w (MLOGP) : 1.800 |
| Log Po/w (SILICOS-IT) : 2.160 |
| Consensus Log Po/w : 2.100 |