(±)-Methyl 2-methylbutanoate
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.8757 g/mL (at 25 °C)
- Boiling point
- 112–115 °C
- logP
- 1.21Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
868-57-5SMILES
CCC(C)C(=O)OCInChIKey
OCWLYWIFNDCWRZ-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Butanoic acid, 2-methyl-, methyl ester
- Butyric acid, 2-methyl-, methyl ester
- Butyric acid, α-methyl-, methyl ester
- Methyl 2-methylbutyrate
- Methyl α-methylbutyrate
- 2-Methylbutanoic acid methyl ester
- Methyl 2-methylbutanoate
- Methyl α-methylbutanoate
- α-Methylbutyric acid methyl ester
- Methyl anteisovalerate
- Methyl dl-α-methylbutyrate
- (±)-Methyl α-methylbutyrate
- Methyl (±)-2-methylbutanoate
- 2-Methylbutyric acid methyl ester
Work with (±)-Methyl 2-methylbutanoate
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