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Molecule record

ethyl 2-methylheptanoate

C10H20O2

172.27 g/mol

Loading structure

Molecular properties

Formula
C10H20O2
Molar mass
172.27 g·mol−1
Exact mass
172.1463 Da
1
PubChem CID
3015916

Functional groups

Alkane / alkyl carbon
Ester
Ether

Physical properties

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

Common names and synonyms

  • 253-527-5
  • 37492-26-5
  • AI3-19326
  • Amylpropionsaureathylester
  • DTXCID501386498
  • DTXSID40958596
  • EINECS 253-527-5
  • GGJCZSUQNJRNNU-UHFFFAOYSA-N
Show all 12 synonyms
  • Heptanoic acid, 2-methyl-, ethyl ester
  • NS00056544
  • RefChem:138624
  • SCHEMBL5138404

Structure identifiers

Canonical SMILES
CCCCCC(C)C(=O)OCC
Isomeric SMILES
CCCCCC(C)C(=O)OCC
InChI
InChI=1S/C10H20O2/c1-4-6-7-8-9(3)10(11)12-5-2/h9H,4-8H2,1-3H3
InChIKey
GGJCZSUQNJRNNU-UHFFFAOYSA-N
PubChem CID
3015916

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 ethyl 2-methylheptanoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for ethyl 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