| Phytochemical Name : Methyl 3-methyl-2-pentenoate |
| PCNDIDM0086 |
| Pubchem CID : 5362896 |
| Molecular formula: C7H12O2 |
| Canonical SMILES : CCC(=CC(=O)OC)C |
Synonymes : Methyl 3-methyl-2-pentenoate|methyl (E)-3-methylpent-2-enoate|50652-79-4|3-Methyl-2-pentenoic acid methyl ester|2-Pentenoic acid, 3-methyl-, methyl ester|17447-01-7|starbld0046944|SCHEMBL9654807|Methyl (2E)-3-methyl-2-pentenoate #|(E)-3-Methyl-pent-2-enoic acid methyl ester|EN300-97941|2-Pentenoic acid, 3-methyl-, methyl ester, (2E)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.270 |
| Log Po/w (XLOGP3) : 1.990 |
| Log Po/w (WLOGP) : 1.520 |
| Log Po/w (MLOGP) : 1.520 |
| Log Po/w (SILICOS-IT) : 1.160 |
| Consensus Log Po/w : 1.690 |