| Phytochemical Name : Propyl isovalerate |
| PCNDIDP0177 |
| Pubchem CID : 11176 |
| Molecular formula: C8H16O2 |
| Canonical SMILES : CCCOC(=O)CC(C)C |
Synonymes : PROPYL ISOVALERATE|Propyl 3-methylbutanoate|557-00-6|Butanoic acid, 3-methyl-, propyl ester|Propyl isopentanoate|Isovaleric acid, propyl ester|Propyl 3-methylbutyrate|Propyl isovalerianate|FEMA No. 2960|EINECS 209-148-2|Propyl isovalerate (natural)|n-Propyl iso-valerate|BRN 1747146|UNII-802KM69CKR|AI3-33613|802KM69CKR|3-Methylbutanoic acid, propyl ester|Butanoic acid, 3-methyl-, propyl ester (9CI)|n-propyl isovalerate|Propyl 3-methylbutanoate #|SCHEMBL133737|CHEBI:89725|FEMA 2960|3-methylbutyric acid propyl ester|DTXSID70204230|PROPYL ISOVALERATE [FHFI]|3-methylbutanoic acid propyl ester|3-methyl butanoic acid propyl ester|LMFA07011003|AKOS008947870|LS-3075|CS-0453597|FT-0702601|Propyl isovalerate, natural (US), >=98%, FG|Q27161915 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.670 |
| Log Po/w (XLOGP3) : 2.270 |
| Log Po/w (WLOGP) : 1.990 |
| Log Po/w (MLOGP) : 1.960 |
| Log Po/w (SILICOS-IT) : 1.750 |
| Consensus Log Po/w : 2.130 |