| Phytochemical Name : Isoamyl isovalerate |
| PCNDIDI0041 |
| Pubchem CID : 12613 |
| Molecular formula: C10H20O2 |
| Canonical SMILES : CC(C)CCOC(=O)CC(C)C |
Synonymes : ISOAMYL ISOVALERATE|659-70-1|Isopentyl 3-methylbutanoate|3-Methylbutyl 3-methylbutanoate|Isopentyl isopentanoate|Solusterol|iso-Amyl isovalerate|Isopentyl isovalerate|Isoamyl valerianate|Apple essence|3-Methylbutyl isovalerate|Isovaleric acid, isopentyl ester|Butanoic acid, 3-methyl-, 3-methylbutyl ester|Isoamyl 3-methylbutanoate|Isopentyl 3-methylbutyrate|Isoamyl 3-methylbutyrate|3-Methylbutyl 3-methylbutyrate|Isoamyl isopentanoate|Isoamyl isovalerianate|Isopentyl alcohol, isovalerate|FEMA No. 2085|NSC 6565|Isoamyl isovalerate (natural)|Isovaleric Acid Isoamyl Ester|CCRIS 1348|EINECS 211-536-1|UNII-16M1VA1FJY|BRN 1753884|16M1VA1FJY|3-methylbutanoic acid 3-methylbutyl ester|AI3-06045|DTXSID8044757|CHEBI:31727|NSC-6565|isoamyl_isovalerate|iso-amyl iso-valerate|Isovaleric acid isoamyl|Nat.Isoamyl Isovalerate|ISOAMYLISOVALERATE|isoamyl 3-methyl butanoate|3 - methylbutyl isovalerate|Isopentyl 3-methylbutanoate #|SCHEMBL113763|Isovaleric Acid Isopentyl Ester|CHEMBL3189076|DTXCID6024757|ISOAMYL ISOVALERATE [MI]|FEMA 2085|XINCECQTMHSORG-UHFFFAOYSA-|ISOAMYL ISOVALERATE [FCC]|NSC6565|NATURAL ISOAMYL ISOVALERATE|ISOAMYL ISOVALERATE [FHFI]|Tox21_301620|WLN: 1Y1&2OV1Y1&1|LMFA07010919|MFCD00048369|AKOS015907822|(3-methyl-1-butyl) 3-methylbutanoate|LS-2395|Isoamyl isovalerate, >=98%, FCC, FG|NCGC00256163-01|AS-59218|CAS-659-70-1|3-methyl-butyric acid 3-methyl-butyl ester|FT-0657233|I0196|D97798|Isoamyl isovalerate, natural, >=98%, FCC, FG|A835290|W-104778|Q11066025 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.050 |
| Log Po/w (XLOGP3) : 3.070 |
| Log Po/w (WLOGP) : 2.620 |
| Log Po/w (MLOGP) : 2.580 |
| Log Po/w (SILICOS-IT) : 2.440 |
| Consensus Log Po/w : 2.750 |