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Molecule record

3-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
13862294

Functional groups

Alkane / alkyl carbon
Ketone

Physical properties

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

Common names and synonyms

  • 3-propyl-cyclohexan-1-one
  • 3-propylcyclohexanone
  • 69824-91-5
  • AKOS013845141
  • Cyclohexanone, 3-propyl-
  • DB-339500
  • DTXCID80502193
  • DTXSID80551409
Show all 13 synonyms
  • JTWWWMMYLTUDHS-UHFFFAOYSA-N
  • RefChem:281959
  • SCHEMBL2692211
  • SCHEMBL27834145
  • SCHEMBL7738150

Structure identifiers

Canonical SMILES
CCCC1CCCC(=O)C1
Isomeric SMILES
CCCC1CCCC(=O)C1
InChI
InChI=1S/C9H16O/c1-2-4-8-5-3-6-9(10)7-8/h8H,2-7H2,1H3
InChIKey
JTWWWMMYLTUDHS-UHFFFAOYSA-N
PubChem CID
13862294

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-propylcyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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.

PubChem(link only)
Open source record