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Molecule record

4-ethylcyclohexan-1-one

C8H14O

126.20 g/mol

Loading structure

Molecular properties

Formula
C8H14O
Molar mass
126.20 g·mol−1
Exact mass
126.1045 Da
2
PubChem CID
79506

Functional groups

Alkane / alkyl carbon
Ketone

Physical properties

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

Common names and synonyms

  • 226-629-2
  • 4-Ethyl-1-cyclohexanone
  • 4-Ethyl-cyclohexanone
  • 4-Ethylcyclohexanone
  • 4-Ethylcyclohexanone, 97%
  • 5441-51-0
  • 6ERC99KWN8
  • A830169
Show all 24 synonyms
  • Cyclohexanone, 4-ethyl-
  • DTXCID10125298
  • DTXSID20202807
  • E0398
  • EINECS 226-629-2
  • EN300-19813
  • FT-0618411
  • MFCD00001644
  • NSC 21120
  • NSC21120
  • OKSDJGWHKXFVME-UHFFFAOYSA-
  • RefChem:522858
  • SCHEMBL27507043
  • SCHEMBL6591999
  • SCHEMBL87369
  • Z104475572

Structure identifiers

Canonical SMILES
CCC1CCC(=O)CC1
Isomeric SMILES
CCC1CCC(=O)CC1
InChI
InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3
InChIKey
OKSDJGWHKXFVME-UHFFFAOYSA-N
PubChem CID
79506

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-ethylcyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-ethylcyclohexan-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