| Phytochemical Name : 3-Ethyl-1,4-hexadiene |
| PCNDIDOT0759 |
| Pubchem CID : 5367529 |
| Molecular formula: C8H14 |
| Canonical SMILES : CCC(C=C)C=CC |
Synonymes : 3-ETHYL-1,4-HEXADIENE|1,4-Hexadiene, 3-ethyl-|(4E)-3-Ethyl-1,4-hexadiene # |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.600 |
| Log Po/w (XLOGP3) : 3.250 |
| Log Po/w (WLOGP) : 2.770 |
| Log Po/w (MLOGP) : 3.040 |
| Log Po/w (SILICOS-IT) : 2.310 |
| Consensus Log Po/w : 2.790 |