| Phytochemical Name : alpha-Thujene |
| PCNDIDA0108 |
| Pubchem CID : 17868 |
| Molecular formula: C10H16 |
| Canonical SMILES : CC1=CCC2(C1C2)C(C)C |
Synonymes : ALPHA-THUJENE|2867-05-2|3-Thujene|Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-|Origanene|THUJONE, (A + B)(SG)|2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene|alpha-Thuiene|2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene|alpha-Thujen|.alpha.-Thujene|2-Methyl-5-(1-methylethyl)-bicyclo(3.1.0)hex-2-ene|2-methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene|CHEBI:50031|thujene (alpha-)|4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene|Thujene, .alpha.-|5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene|(-)-3-Thujene|Thujone,(a + b)(sg)|(1R,5S)-thuj-2-ene|(1R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene|DTXSID20863038|FT-0622205|EN300-7441739|5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene #|Q27121796 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.670 |
| Log Po/w (XLOGP3) : 2.850 |
| Log Po/w (WLOGP) : 3.000 |
| Log Po/w (MLOGP) : 4.290 |
| Log Po/w (SILICOS-IT) : 2.950 |
| Consensus Log Po/w : 3.150 |