Molecular properties
- Formula
- C6H12O
- Molar mass
- 100.16 g·mol−1
- Exact mass
- 100.0888 Da
- 1
- PubChem CID
- 7909
Molecule record
4-methylpentan-2-one
C6H12O
100.16 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
- 108-10-1
- 2-Methyl-4-pentanone
- 2-Methylpropyl methyl ketone
- 2-Pentanone, 4-methyl-
- 4-Methyl-2-oxopentane
- 4-Methyl-2-pentanon
- 4-Methyl-2-pentanone
- 4-Methyl-pentan-2-on
Show all 24 synonyms
- 4-Metilpentan-2-one
- Hexon
- Hexone
- Isobutyl methyl ketone
- Isobutyl-methylketon
- Isohexanone
- Isopropyl acetone
- Isopropylacetone
- Ketone, isobutyl methyl
- METHYL ISOBUTYL KETONE
- MIBK
- Methyl-isobutyl-cetone
- Methylisobutylketon
- Metilisobutilchetone
- Metyloizobutyloketon
- Shell mibk
Structure identifiers
- Canonical SMILES
- CC(=O)CC(C)C
- Isomeric SMILES
- CC(C)CC(=O)C
- InChI
- InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
- InChIKey
- NTIZESTWPVYFNL-UHFFFAOYSA-N
- PubChem CID
- 7909
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 4-methylpentan-2-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-methylpentan-2-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.