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Molecule record

4-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
11525

Functional groups

Alkane / alkyl carbon
Ketone

Physical properties

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

Common names and synonyms

  • 0L1R78K79S
  • 4-07-00-00044 (Beilstein Handbook Reference)
  • 4-METHYLCYCLOHEXANONE
  • 4-METHYLCYCLOHEXANONE [FHFI]
  • 4-Methyl-1-cyclohexanone
  • 4Methyl1cyclohexanone
  • 589-92-4
  • AI3-15916
Show all 24 synonyms
  • BRN 0506746
  • CYCLOHEXANONE,4-METHYL
  • Cyclohexanone, 4-methyl-
  • Cyclohexanone, 4methyl
  • Cyclohexanone, methyl-
  • DTXSID5060435
  • EINECS 209-665-3
  • EINECS 215-556-1
  • FEMA NO. 3948
  • Methyl-4 cyclohexanone-1
  • Methyl-4 cyclohexanone-1 [French]
  • Methyl4 cyclohexanone1
  • Metylocykloheksanon
  • Metylocykloheksanon [Polish]
  • NSC 3816
  • Tetrahydropcresol

Structure identifiers

Canonical SMILES
CC1CCC(=O)CC1
Isomeric SMILES
CC1CCC(=O)CC1
InChI
InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIKey
VGVHNLRUAMRIEW-UHFFFAOYSA-N
PubChem CID
11525

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 4-methylcyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-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