| Phytochemical Name : Isopulegone |
| PCNDIDI0112 |
| Pubchem CID : 34645 |
| Molecular formula: C10H16O |
| Canonical SMILES : CC1CCC(C(=O)C1)C(=C)C |
Synonymes : Isopulegone|5-methyl-2-prop-1-en-2-ylcyclohexan-1-one|Isopulegon|Cyclohexanone, 5-methyl-2-(1-methylethenyl)-|529-00-0|p-menth-8-en-3-one|1-Methyl-4-isopropenyl-3-cyclohexanone|29606-79-9|5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one|Isopulegone (natural)|8(9)-p-Menthen-3-one, delta-|(2S,5R)-5-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE|1-Isopropyl-4-methyl-2-cyclohexanone|trans-5-Methyl-2-(1-methylethenyl)cyclohexanone|trans-5-Methyl-2-(1-methylvinyl)cyclohexan-1-one|2-Isopropenyl-5-methylcyclohexanone #|(-)-trans-Isopulegone|p-Mentha-8-ene-3-one|para-menth-8-en-3-one|SCHEMBL727954|CHEBI:37046|DTXSID40865498|(-)-trans-p-Menth-8-en-3-one|AKOS015907574|LS-89529|Cyclohexanone, 2-isopropylideno-5-methyl-|5-methyl-2-(prop-1-en-2-yl)cyclohexanone|FT-0627503|FT-0700559|FT-0700561|EN300-2968121|Q27117020|(2R-trans)-5-methyl-2-(1-methylethenyl)-cyclohexanone |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.240 |
| Log Po/w (XLOGP3) : 2.840 |
| Log Po/w (WLOGP) : 2.570 |
| Log Po/w (MLOGP) : 2.200 |
| Log Po/w (SILICOS-IT) : 2.650 |
| Consensus Log Po/w : 2.500 |