| Phytochemical Name : alpha-Patchoulene |
| PCNDIDA0100 |
| Pubchem CID : 521710 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1CCC23C1CC(C2(C)C)CC=C3C |
Synonymes : alpha-Patchoulene|1H-3a,7-Methanoazulene, 2,3,6,7,8,8a.alpha.-hexahydro-1.beta.,4,9,9-tetramethyl-|1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1.alpha.,3a.alpha.,7.alpha.,8a.beta.)-|.alpha.-Patchoulene|(1R,3aS,7S,8aR)-1,4,9,9-Tetramethyl-2,3,6,7,8,8a-hexahydro-1H-3a,7-methanoazulene|1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1R,3aS,7S,8aR)-rel- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.190 |
| Log Po/w (XLOGP3) : 4.770 |
| Log Po/w (WLOGP) : 4.420 |
| Log Po/w (MLOGP) : 5.650 |
| Log Po/w (SILICOS-IT) : 3.910 |
| Consensus Log Po/w : 4.390 |