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Molecule record

1-methylcyclohexene

C7H12

96.17 g/mol

Loading structure

Molecular properties

Formula
C7H12
Molar mass
96.17 g·mol−1
Exact mass
96.0939 Da
2
PubChem CID
11574

Functional groups

Alkane / alkyl carbon
Alkene

Physical properties

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

Common names and synonyms

  • .alpha.-Methylcyclohexene
  • 1-Methyl-1-cyclohexene
  • 1-Methylcyclohex-1-ene
  • 1-methyl-cyclohexene
  • 1335-86-0
  • 1Methyl1cyclohexene
  • 2,3,4,5-Tetrahydrotoluene
  • 2-methylcyclohexene
Show all 24 synonyms
  • 209-718-0
  • 591-49-1
  • AI3-52478
  • Cyclohexene, 1-methyl-
  • Cyclohexene, 1methyl
  • Cyclohexene, methyl-
  • DTXCID4042543
  • DTXSID3060451
  • EINECS 209-718-0
  • InChI=1/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H
  • METHYLCYCLOHEXENE
  • NSC 66539
  • RefChem:434581
  • TE4P8Q2044
  • alpha-Methylcyclohexene
  • methyl-1-cyclohexene

Structure identifiers

Canonical SMILES
CC1=CCCCC1
Isomeric SMILES
CC1=CCCCC1
InChI
InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKey
CTMHWPIWNRWQEG-UHFFFAOYSA-N
PubChem CID
11574

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 1-methylcyclohexene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-methylcyclohexene; 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