Methyl 2-methylpentanoate
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Density
- 0.875–0.881 g/mL
- Boiling point
- 148 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor43.7% of notifiers
Aggregated from 158 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
2177-77-7SMILES
CCCC(C)C(=O)OCInChIKey
ZTULNMNIVVMLIU-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Pentanoic acid, 2-methyl-, methyl ester
- Valeric acid, 2-methyl-, methyl ester
- 2-Methylpentanoic acid methyl ester
- Methyl 2-methylvalerate
- α-Methylpentanoic acid methyl ester
Work with Methyl 2-methylpentanoate
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
(±)-Methyl 2-methylbutanoate868-57-564 % similar
Manzanate39255-32-863 % similar
Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-757 % similar
Methyl (2R)-3-hydroxy-2-methylpropanoate72657-23-957 % similar
Methyl (S)-(+)-3-hydroxy-2-methylpropionate80657-57-457 % similar
(S)-(-)-3-Bromoisobutyric acid methyl ester98190-85-357 % similar
Dimethyl (R)-(+)-methylsuccinate22644-27-555 % similar
(S)-(-)-Methylsuccinic acid dimethyl ester63163-08-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.