| Phytochemical Name : Butyl isovalerate |
| PCNDIDB0154 |
| Pubchem CID : 7981 |
| Molecular formula: C9H18O2 |
| Canonical SMILES : CCCCOC(=O)CC(C)C |
Synonymes : BUTYL ISOVALERATE|Butyl 3-methylbutanoate|109-19-3|n-Butyl isovalerate|Butyl isopentanoate|1-Butyl isovalerate|Butanoic acid, 3-methyl-, butyl ester|Butyl 3-methylbutyrate|Butyl isovalerianate|Isovaleric acid, butyl ester|n-Butyl 3-methylbutanoate|n-Butyl isopentanoate|FEMA No. 2218|NSC 6187|Butyl isovalerate (natural)|HSDB 6383|EINECS 203-654-7|UNII-4UX6V9QM2J|BRN 1752803|4UX6V9QM2J|AI3-33584|1-Methylbutyl 3-methylbutanoate|NSC-6187|3-02-00-00698 (Beilstein Handbook Reference)|Butyl isovalerate, natural, 98%, FG|Isovaleric Acid Butyl Ester|Isovaleric acid butyl|n-Butyl iso-valerate|Butyl 3-methylbutanoate #|SCHEMBL95383|BUTYL 3-METHYL BUTYRATE|BUTYL ISOVALERATE [FCC]|BUTYL 3-METHYL BUTANOATE|BUTYL ISOVALERATE [FHFI]|BUTYL ISOVALERATE [HSDB]|DTXSID9047621|N-BUTYL 3-METHYLBUTYRATE|3-Methylbutyric acid butyl ester|CHEBI:89723|FEMA 2218|3-methylbutanoic acid butyl ester|NSC6187|WLN: 4OV1Y1 & 1|3,6-Dihydroxy-3-methylhexanoic acid|BUTANOATE, 3-METHYL-, BUTYL|LMFA07010652|MFCD00048775|AKOS016009800|LS-2602|Butyl isovalerate, >=98%, FCC, FG|BS-49168|B3718|FT-0623312|Q27161913 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.510 |
| Log Po/w (XLOGP3) : 2.630 |
| Log Po/w (WLOGP) : 2.380 |
| Log Po/w (MLOGP) : 2.280 |
| Log Po/w (SILICOS-IT) : 2.180 |
| Consensus Log Po/w : 2.390 |