Molecule record

3-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
228300

Functional groups

Alkane / alkyl carbon
Ketone

Physical properties

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

Common names and synonyms

  • (s)-3-ethylcyclohexan-1-one
  • 22461-89-8
  • 3-Ethyl cyclohexanone, 96%
  • 3-Ethylcyclohexan
  • 3-Ethylcyclohexanone
  • 3-Ethylcyclohexanone #
  • AKOS005264701
  • BB 0255161
Show all 24 synonyms
  • CS-0261625
  • Cyclohexanone, 3-ethyl-
  • DTXCID70232437
  • DTXSID70281283
  • E73606
  • EN300-79320
  • MFCD13562924
  • NSC-21117
  • NSC21117
  • RefChem:1067812
  • SCHEMBL169621
  • SCHEMBL28745151
  • SCHEMBL7738038
  • SY188433
  • XAA46189
  • Z1201627363

Structure identifiers

Canonical SMILES
CCC1CCCC(=O)C1
Isomeric SMILES
CCC1CCCC(=O)C1
InChI
InChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h7H,2-6H2,1H3
InChIKey
IEVRHAUJJJBXFH-UHFFFAOYSA-N
PubChem CID
228300

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 3-ethylcyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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.

Open source record