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Molecule record

2-methylcyclohexan-1-one

C7H12O

112.17 g/mol

Loading structure

Molecular properties

Formula
C7H12O
Molar mass
112.17 g·mol−1
Exact mass
112.0888 Da
2
PubChem CID
11419

Functional groups

Alkane / alkyl carbon
Ketone

Physical properties

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

Common names and synonyms

  • .alpha.-Methylcyclohexanone
  • 2-METHYL CYCLOHEXANONE
  • 2-METHYLCYCLOHEXANONE
  • 2-Methyl-1-cyclohexanone
  • 2-Methyl-cyclohexanon
  • 2-Metilcicloesanone
  • 2-Metilcicloesanone [Italian]
  • 209-513-6
Show all 24 synonyms
  • 56E8224ZFJ
  • 583-60-8
  • Cyclohexanone, 2-methyl-
  • DTXCID1030816
  • DTXSID6052245
  • FEMA 3946
  • FEMA NO. 3946
  • METHYL ANONE
  • MFCD00001635
  • Methylanon
  • NSC-524
  • RefChem:88294
  • Sexton B
  • Tetrahydro-o-cresol
  • alpha-Methylcyclohexanone
  • o-Methylcyclohexanone

Structure identifiers

Canonical SMILES
CC1CCCCC1=O
Isomeric SMILES
CC1CCCCC1=O
InChI
InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
InChIKey
LFSAPCRASZRSKS-UHFFFAOYSA-N
PubChem CID
11419

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-methylcyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylcyclohexan-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
2-methylcyclohexan-1-one - Formula, Structure | ChemArche