2-Methylvaleric acid
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.92 g/mL (at 25 °C)
- Melting point
- 120.6–122.4 °C
- Boiling point
- 196.5 °C
- logP
- 1.51Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Identifiers
CAS number
97-61-0SMILES
CCCC(C)C(=O)OInChIKey
OVBFMEVBMNZIBR-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Pentanoic acid, 2-methyl-
- Valeric acid, 2-methyl-
- Valeric acid, α-methyl-
- 2-Methylpentanoic acid
- Methylpropylacetic acid
- α-Methylvaleric acid
- 2-Pentanecarboxylic acid
- 2-Methyl-n-valeric acid
- DL-2-Methylpentanoic acid
- (±)-2-Methylpentanoic acid
- NSC 8406
Work with 2-Methylvaleric 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
2-Methylhexanoic acid4536-23-677 % similar
2-Methylheptanoic acid1188-02-974 % similar
2-Methylbutanoic acid116-53-062 % similar
(+)-2-Methylbutanoic acid1730-91-262 % similar
2-Methylbutanoic acid600-07-762 % similar
Valproic acid99-66-162 % similar
2-Methylglutaric acid18069-17-559 % similar
D-Norvaline2013-12-955 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds