Molecular properties
- Formula
- C6H10O
- Molar mass
- 98.14 g·mol−1
- Exact mass
- 98.0732 Da
- 2
- 0
- 1
- 17.10 Ų
- 0.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 108-94-1
- PubChem CID
- 7967
Molecule record
CYCLOHEXANONE
C6H10O
98.14 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Aromatic ring
Ketone
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 108-94-1
- 5QOR3YM052
- Anon
- Anone
- Cicloesanone
- Cyclohexanon
- Cykloheksanon
- DTXCID00359
Show all 22 synonyms
- DTXSID6020359
- EPA Pesticide Chemical Code 025902
- Hexanon
- Hytrol O
- Ketohexamethylene
- NCI-C55005
- NSC-5711
- Nadone
- Pimelic ketone
- Pimelin ketone
- RCRA waste number U057
- Sextone
- ketocyclohexane
- oxocyclohexane
Structure identifiers
- Canonical SMILES
- C1CCC(=O)CC1
- Isomeric SMILES
- C1CCC(=O)CC1
- InChI
- InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
- InChIKey
- JHIVVAPYMSGYDF-UHFFFAOYSA-N
- PubChem CID
- 7967
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
1715 cm−1C=O ketone (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for CYCLOHEXANONE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for CYCLOHEXANONE; not experimental data.
Related molecules
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.