| Phytochemical Name : 2,5-Cyclohexadiene, 1,4-diethyl-1,4-dimethyl- |
| PCNDIDOT0530 |
| Pubchem CID : 572347 |
| Molecular formula: C12H20 |
| Canonical SMILES : CCC1(C=CC(C=C1)(C)CC)C |
Synonymes : 2,5-Cyclohexadiene, 1,4-diethyl-1,4-dimethyl-|1,4-diethyl-1,4-dimethyl-2,5-cyclohexadiene|3,6-Diethyl-3,6-dimethyl-1,4-cyclohexadiene # |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.920 |
| Log Po/w (XLOGP3) : 5.000 |
| Log Po/w (WLOGP) : 3.950 |
| Log Po/w (MLOGP) : 3.840 |
| Log Po/w (SILICOS-IT) : 3.260 |
| Consensus Log Po/w : 3.790 |