Molecular properties
- Formula
- C9H18O2
- Molar mass
- 158.24 g·mol−1
- Exact mass
- 158.1307 Da
- 1
- PubChem CID
- 12714009
Molecule record
ethyl 2-methylhexanoate
C9H18O2
158.24 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Ester
Ether
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-methyl-hexanoic acid ethyl ester
- SCHEMBL1722216
- SCHEMBL28936088
- SCHEMBL8569409
- ethyl 2-methyl hexanoate
- ethyl2-methylhexanoate
- racemic ethyl 2-methylhexanoate
Structure identifiers
- Canonical SMILES
- CCCCC(C)C(=O)OCC
- Isomeric SMILES
- CCCCC(C)C(=O)OCC
- InChI
- InChI=1S/C9H18O2/c1-4-6-7-8(3)9(10)11-5-2/h8H,4-7H2,1-3H3
- InChIKey
- LFLSVOVPJVCWKQ-UHFFFAOYSA-N
- PubChem CID
- 12714009
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for ethyl 2-methylhexanoate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for ethyl 2-methylhexanoate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.