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Molecule record

methyl 2-methyloctanoate

C10H20O2

172.27 g/mol

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Molecular properties

Formula
C10H20O2
Molar mass
172.27 g·mol−1
Exact mass
172.1463 Da
1
PubChem CID
519895

Functional groups

Alkane / alkyl carbon
Ester
Ether

Physical properties

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

Common names and synonyms

  • 1-Methyl-heptanecarboxylic acid, methyl ester
  • 2-Methyloctanoic acid methyl ester
  • AKOS006271392
  • Methyl 2-methyloctanoate #
  • Methyl ester of 2-methyloctanoic acid
  • Octanoic acid, 2-methyl-, methyl ester
  • Octanoic acid, methyl-, methyl ester
  • SCHEMBL4108815
Show all 9 synonyms
  • SCHEMBL9569724

Structure identifiers

Canonical SMILES
CCCCCCC(C)C(=O)OC
Isomeric SMILES
CCCCCCC(C)C(=O)OC
InChI
InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)10(11)12-3/h9H,4-8H2,1-3H3
InChIKey
PUTZZJOMRXPKCK-UHFFFAOYSA-N
PubChem CID
519895

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-methyloctanoate; not experimental data.

Simulated EI mass spectrum

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

Sources

Molecule identity

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

PubChem(link only)
Open source record