| Phytochemical Name : 2,5,5-Trimethyl-1,6-heptadiene |
| PCNDIDOT0527 |
| Pubchem CID : 534952 |
| Molecular formula: C10H18 |
| Canonical SMILES : CC(=C)CCC(C)(C)C=C |
Synonymes : 2,5,5-Trimethyl-1,6-heptadiene|1,6-Heptadiene, 2,5,5-trimethyl-|62238-28-2|2,5,5-Trimethyl-1,6-heptadiene # |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.880 |
| Log Po/w (XLOGP3) : 4.480 |
| Log Po/w (WLOGP) : 3.550 |
| Log Po/w (MLOGP) : 3.660 |
| Log Po/w (SILICOS-IT) : 3.060 |
| Consensus Log Po/w : 3.530 |