Molecule record

methyl 2-methylpentanoate

C7H14O2

130.19 g/mol

Loading structure

Molecular properties

Formula
C7H14O2
Molar mass
130.19 g·mol−1
Exact mass
130.0994 Da
1
PubChem CID
519890

Functional groups

Alkane / alkyl carbon
Ester
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (+-)-METHYL 2-METHYLPENTANOATE
  • .ALPHA.-METHYLPENTANOIC ACID METHYL ESTER
  • 2-Methylpentanoic acid methyl ester
  • 2-Methylvaleric acid, methyl ester
  • 2177-77-7
  • 25KKE63345
  • AI3-28502
  • ALPHA-METHYLPENTANOIC ACID METHYL ESTER
Show all 24 synonyms
  • DTXCID70811569
  • DTXSID90862856
  • EINECS 218-543-9
  • FEMA 3707
  • FEMA No. 3707
  • METHYL 2-METHYLPENTANOATE [FHFI]
  • METHYL 2-METHYLPENTANOATE, (+-)-
  • Methyl (A+-)-2-methylpentanoic acid
  • Methyl 2-methylpentanoic acid
  • Methyl 2-methylvalerate
  • Pentanoic acid, 2-methyl-, methyl ester
  • RefChem:157365
  • UNII-25KKE63345
  • Valeric acid, 2-methyl-, methyl ester
  • ZTULNMNIVVMLIU-UHFFFAOYSA-N
  • methylpentanoic acid methyl ester

Structure identifiers

Canonical SMILES
CCCC(C)C(=O)OC
Isomeric SMILES
CCCC(C)C(=O)OC
InChI
InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3
InChIKey
ZTULNMNIVVMLIU-UHFFFAOYSA-N
PubChem CID
519890

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for methyl 2-methylpentanoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for methyl 2-methylpentanoate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record
methyl 2-methylpentanoate - Formula, Structure | ChemArche