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Molecule record

2-methoxycyclohexan-1-one

C7H12O2

128.17 g/mol

Loading structure

Molecular properties

Formula
C7H12O2
Molar mass
128.17 g·mol−1
Exact mass
128.0837 Da
2
PubChem CID
110998

Functional groups

Alkane / alkyl carbon
Ether
Ketone

Physical properties

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

Common names and synonyms

  • (+/-)-2-methoxycyclohexanone
  • (2R)-2-methoxycyclohexanone
  • (2s)-2-methoxycyclohexanone
  • (RS)-2-methoxycyclohexanone
  • (S)-2-Methoxycyclohexan-1-one
  • 2-Methoxy-cyclohexanone
  • 2-Methoxycyclohexanone
  • 2-Methoxycyclohexanone, 97%
Show all 24 synonyms
  • 231-071-8
  • 7429-44-9
  • 7429-44-9-Deleted-CAS
  • 87938-34-9
  • AKOS009156954
  • CS-0183772
  • Cyclohexanone, 2-methoxy-
  • DTXCID30812613
  • DTXSID20864060
  • EINECS 231-071-8
  • MFCD00009610
  • RefChem:87901
  • SCHEMBL181970
  • SY051810
  • methoxycyclohexanone
  • racemic 2-methoxycyclohexanone

Structure identifiers

Canonical SMILES
COC1CCCCC1=O
Isomeric SMILES
COC1CCCCC1=O
InChI
InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChIKey
JYJURPHZXCLFDX-UHFFFAOYSA-N
PubChem CID
110998

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 2-methoxycyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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.

PubChem(link only)
Open source record