Molecular properties
- Formula
- C8H16O2
- Molar mass
- 144.21 g·mol−1
- Exact mass
- 144.1150 Da
- 1
- PubChem CID
- 519892
Molecule record
methyl 2-methylhexanoate
C8H16O2
144.21 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-Methylhexanoic acid, methyl ester
- 2177-81-3
- AKOS006280246
- CHEBI:167364
- DTXSID30334183
- F94564
- Hexanoic acid, 2-methyl-, methyl ester
- RefChem:1086610
Show all 13 synonyms
- SCHEMBL27617288
- SCHEMBL2779851
- SCHEMBL5764497
- SCHEMBL7675563
- methyl alpha-methylhexanoate
Structure identifiers
- Canonical SMILES
- CCCCC(C)C(=O)OC
- Isomeric SMILES
- CCCCC(C)C(=O)OC
- InChI
- InChI=1S/C8H16O2/c1-4-5-6-7(2)8(9)10-3/h7H,4-6H2,1-3H3
- InChIKey
- NCFJODHIQVLMQF-UHFFFAOYSA-N
- PubChem CID
- 519892
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 methyl 2-methylhexanoate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for methyl 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.