Molecule record

4-propylcyclohexan-1-one

C9H16O

140.23 g/mol

Loading structure

Molecular properties

Formula
C9H16O
Molar mass
140.23 g·mol−1
Exact mass
140.1201 Da
2
PubChem CID
142482

Functional groups

Alkane / alkyl carbon
Ketone

Physical properties

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

Common names and synonyms

  • 4-Propylcyclohexanone
  • 4-n-Propylcyclohexanone
  • 4-n-propyl-cyclohexanone
  • 4-propyl-1-cyclohexanone
  • 4-propyl-cyclohexanone
  • 406-810-4
  • 40649-36-3
  • 4nPropylcyclohexanone
Show all 24 synonyms
  • 9735699W19
  • AKOS000120239
  • Cyclohexanone, 4-propyl-
  • DTXCID4028173
  • DTXSID9048198
  • EC 406-810-4
  • EN300-17912
  • MFCD00058690
  • NCGC00257308-01
  • NQEDLIZOPMNZMC-UHFFFAOYSA-N
  • PS-5320
  • RefChem:100425
  • SY009654
  • Thiobis(2-
  • UNII-9735699W19
  • Z57073962

Structure identifiers

Canonical SMILES
CCCC1CCC(=O)CC1
Isomeric SMILES
CCCC1CCC(=O)CC1
InChI
InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3
InChIKey
NQEDLIZOPMNZMC-UHFFFAOYSA-N
PubChem CID
142482

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-propylcyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-propylcyclohexan-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