chempirical

Methyl 2-methylpentanoate

C7H14O2CAS 2177-77-7130.19 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C7H14O2
Molar mass
130.19 g/mol
Exact mass
130.0994 Da
logP
1.60Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2177-77-7
SMILES
CCCC(C)C(=O)OC
InChIKey
ZTULNMNIVVMLIU-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

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 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 cyclopropanecarboxylate2868-37-350 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-250 % similar 1,3-Dimethyl 2-(2-methylpropyl)propanedioate39520-24-650 % similar Methyl 2-bromohexanoate5445-19-250 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Propyl butyrate105-66-8 Methyl hexanoate106-70-7 4-Methoxy-4-methyl-2-pentanone107-70-0 Ethyl isovalerate108-64-5 Enanthic acid111-14-8 2,2-Dimethylpentanoic acid1185-39-3 Isoamyl acetate123-92-2 tert-Butyl propionate20487-40-5

Elsewhere

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