| Phytochemical Name : Sesquicineole |
| PCNDIDS0091 |
| Pubchem CID : 341779 |
| Molecular formula: C15H26O |
| Canonical SMILES : CC(=CCCC1(C2CCC(O1)(CC2)C)C)C |
Synonymes : Sesquicineole|Sesquicineol|1,3-Dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]octane|90131-02-5|BISABOL-10-ENE,3,7-OXIDE|NSC375093|3,7-Epoxy-10-bisabolene|3,7-Oxido-10-bisabolene|BISABOL-10-ENE,7-OXIDE|DTXSID301317574|NSC-375093|Q67880089 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.500 |
| Log Po/w (XLOGP3) : 4.690 |
| Log Po/w (WLOGP) : 4.470 |
| Log Po/w (MLOGP) : 3.670 |
| Log Po/w (SILICOS-IT) : 4.330 |
| Consensus Log Po/w : 4.130 |