3-Methylbutanoic acid
Properties
- Molecular formula
- C5H10O2
- Molar mass
- 102.13 g/mol
- Exact mass
- 102.0681 Da
- Density
- 0.931 g/mL (at 20 °C)
- Melting point
- −29.3 °C
- Boiling point
- 176.5 °C
- logP
- 1.12Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
503-74-2SMILES
CC(C)CC(=O)OInChIKey
GWYFCOCPABKNJV-UHFFFAOYSA-NInChI
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Butanoic acid, 3-methyl-
- Isovaleric acid
- Acetic acid, isopropyl-
- Delphinic acid
- Isopropylacetic acid
- β-Methylbutyric acid
- Isopentanoic acid
- 3-Methylbutyric acid
- 3-Methylbutyrate
- 3-Methyl-n-butyric acid
- Isovalerianic acid
- NSC 62783
- 3-Methyl-1-butanoic acid
Work with 3-Methylbutanoic acid
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
3-Isobutylglutaric acid75143-89-467 % similar
(+)-Methylsuccinic acid3641-51-860 % similar
Beta-hydroxybutyric acid300-85-658 % similar
L-3-Hydroxybutyric acid6168-83-858 % similar
3-Hydroxybutyric acid625-71-858 % similar
(R)-3-Hydroxybutyric acid625-72-958 % similar
4-Methylpentanoic acid646-07-158 % similar
Isovalerylglycine16284-60-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds