Molecular properties
- Formula
- C9H16O
- Molar mass
- 140.23 g·mol−1
- Exact mass
- 140.1201 Da
- 2
- PubChem CID
- 70490
Molecule record
2-propan-2-ylcyclohexan-1-one
C9H16O
140.23 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Ketone
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1004-77-9
- 2-Isopropylcyclohexan-1-one
- 2-Isopropylcyclohexanone
- 2-isopropyl-cyclohexanone
- 213-728-0
- AKOS011895039
- CS-0222557
- Cyclohexanone, 2-(1-methylethyl)-
Show all 24 synonyms
- Cyclohexanone, 2-isopropyl-
- DTXCID50818516
- DTXSID80870829
- EINECS 213-728-0
- EN300-111643
- G56480
- Isopropyl cyclohexanone
- NS00043194
- NSC 120517
- NSC 21122
- NSC120517
- NSC21122
- RefChem:473924
- SCHEMBL7981400
- SCHEMBL919145
- isopropylcyclohexanone
Structure identifiers
- Canonical SMILES
- CC(C)C1CCCCC1=O
- Isomeric SMILES
- CC(C)C1CCCCC1=O
- InChI
- InChI=1S/C9H16O/c1-7(2)8-5-3-4-6-9(8)10/h7-8H,3-6H2,1-2H3
- InChIKey
- SDJUYPUXVFDUFF-UHFFFAOYSA-N
- PubChem CID
- 70490
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-propan-2-ylcyclohexan-1-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-propan-2-ylcyclohexan-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.