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Molecule record

methyl 2-methylheptanoate

C9H18O2

158.24 g/mol

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Molecular properties

Formula
C9H18O2
Molar mass
158.24 g·mol−1
Exact mass
158.1307 Da
1
PubChem CID
521320

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-methylheptanoate
  • 51209-78-0
  • AKOS006280245
  • DTXCID10285705
  • DTXSID00334615
  • FUZYFWJHBYRPIP-UHFFFAOYSA-N
  • Heptanoic acid, 2-methyl-, methyl ester
  • Methyl ester of 2-methylheptanoic acid
Show all 10 synonyms
  • RefChem:354407
  • SCHEMBL3682137

Structure identifiers

Canonical SMILES
CCCCCC(C)C(=O)OC
Isomeric SMILES
CCCCCC(C)C(=O)OC
InChI
InChI=1S/C9H18O2/c1-4-5-6-7-8(2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey
FUZYFWJHBYRPIP-UHFFFAOYSA-N
PubChem CID
521320

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-methylheptanoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for methyl 2-methylheptanoate; 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