Isoamyl isovalerate
Properties
- Molecular formula
- C10H20O2
- Molar mass
- 172.27 g/mol
- Exact mass
- 172.1463 Da
- Boiling point
- 190.4 °C
- logP
- 2.62Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Identifiers
CAS number
659-70-1SMILES
CC(C)CCOC(=O)CC(C)CInChIKey
XINCECQTMHSORG-UHFFFAOYSA-NInChI
InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- Butanoic acid, 3-methyl-, 3-methylbutyl ester
- Isovaleric acid, isopentyl ester
- Isopentyl alcohol, isovalerate
- iso-Amyl isovalerate
- Isopentyl isovalerate
- 3-Methylbutyl 3-methylbutyrate
- Isopentyl 3-methylbutyrate
- Solusterol
- Isopentyl 3-methylbutanoate
- 3-Methylbutyl 3-methylbutanoate
- 3-Methylbutyl isovalerate
- Isoamyl 3-methylbutyrate
- Isoamyl 3-methylbutanoate
- NSC 6565
Work with Isoamyl isovalerate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Isoamyl propionate105-68-068 % similar
Isoamyl butyrate106-27-463 % similar
Butyl isovalerate109-19-363 % similar
Isobutyl isovalerate589-59-363 % similar
Ethyl isovalerate108-64-561 % similar
Isovaleric anhydride1468-39-958 % similar
Phenylethyl isovalerate140-26-158 % similar
Isoamyl hexanoate2198-61-058 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds