Molecular properties
- Formula
- C6H9IO
- Molar mass
- 224.04 g·mol−1
- Exact mass
- 223.9698 Da
- 2
- PubChem CID
- 15582167
Molecule record
3-iodocyclohexan-1-one
C6H9IO
224.04 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Ketone
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-iodocyclohexanone
- 62784-61-6
- DTXSID80574875
- SCHEMBL15326932
- starbld0006901
Structure identifiers
- Canonical SMILES
- O=C1CCCC(I)C1
- Isomeric SMILES
- C1CC(CC(=O)C1)I
- InChI
- InChI=1S/C6H9IO/c7-5-2-1-3-6(8)4-5/h5H,1-4H2
- InChIKey
- BCQOJHJQCYPXCE-UHFFFAOYSA-N
- PubChem CID
- 15582167
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 3-iodocyclohexan-1-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-iodocyclohexan-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.