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Molecule record

4-propoxycyclohexan-1-one

C9H16O2

156.22 g/mol

Loading structure

Molecular properties

Formula
C9H16O2
Molar mass
156.22 g·mol−1
Exact mass
156.1150 Da
2
PubChem CID
18413726

Functional groups

Alkane / alkyl carbon
Ether
Ketone

Physical properties

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

Common names and synonyms

  • 158836-67-0
  • 4-(Propyloxy)cyclohexanone
  • 4-Propoxycyclohexanone
  • AKOS022176705
  • AS-58538
  • CS-0047085
  • Cyclohexanone, 4-propoxy-
  • DB-315910
Show all 12 synonyms
  • MFCD24690577
  • O11282
  • SCHEMBL600619
  • XHLFNRDYLLAEEV-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
CCCOC1CCC(=O)CC1
Isomeric SMILES
CCCOC1CCC(=O)CC1
InChI
InChI=1S/C9H16O2/c1-2-7-11-9-5-3-8(10)4-6-9/h9H,2-7H2,1H3
InChIKey
XHLFNRDYLLAEEV-UHFFFAOYSA-N
PubChem CID
18413726

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-propoxycyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-propoxycyclohexan-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