| Phytochemical Name : Copaene |
| PCNDIDC0236 |
| Pubchem CID : 19725 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1=CCC2C3C1C2(CCC3C(C)C)C |
Synonymes : Copaene|ALPHA-COPAENE|3856-25-5|.alpha.-Copaene|(-)-alpha-Copaene|[1S,2R,6R,7R,8S,(+)]-1,3-Dimethyl-8-(1-methylethyl)tricyclo[4.4.0.02,7]deca-3-ene|ylangene (alpha-)|8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene|8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene|DTXSID70863280|(1R,2S,6S,7S,8S)-1,3-Dimethyl-8-(1-methylethyl)tricyclo[4.4.0.02,7]dec-3-ene|Tricyclo(4.4.0.0(2,7)-)dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer|FT-0694804|1,3-Dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0~2,7~]dec-3-ene|(2R,6R)-1,3-Dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.400 |
| Log Po/w (XLOGP3) : 4.470 |
| Log Po/w (WLOGP) : 4.270 |
| Log Po/w (MLOGP) : 5.650 |
| Log Po/w (SILICOS-IT) : 3.730 |
| Consensus Log Po/w : 4.300 |