Molecular properties
- Formula
- C7H12O2
- Molar mass
- 128.17 g·mol−1
- Exact mass
- 128.0837 Da
- 2
- PubChem CID
- 534824
Molecule record
3-methoxycyclohexan-1-one
C7H12O2
128.17 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Ether
Ketone
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 17429-00-4
- 3-Methoxy-cyclohexanon
- 3-Methoxycyclohexanone
- 3-methoxy-cyclo-hexanone
- 3-methoxy-cyclohexanone
- 820-261-1
- AKOS015996107
- CS-0342560
Show all 18 synonyms
- Cyclohexanone, 3-methoxy-
- DA-23429
- EN300-154443
- F330210
- H52730
- MFCD16039579
- RefChem:503257
- SB13837
- SCHEMBL28667969
- SCHEMBL3438344
Structure identifiers
- Canonical SMILES
- COC1CCCC(=O)C1
- Isomeric SMILES
- COC1CCCC(=O)C1
- InChI
- InChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h7H,2-5H2,1H3
- InChIKey
- VYUKCVLHGXBZDF-UHFFFAOYSA-N
- PubChem CID
- 534824
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 3-methoxycyclohexan-1-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methoxycyclohexan-1-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.