Molecular properties
- Formula
- C5H10O
- Molar mass
- 86.13 g·mol−1
- Exact mass
- 86.0732 Da
- 1
- 0
- 1
- 17.10 Ų
- 0.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 96-22-0
- PubChem CID
- 7288
Molecule record
3-PENTANONE
C5H10O
86.13 g/mol
Interactions
- Polarity
- Polar functional group with nonpolar contribution from the carbon skeleton.
- 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
Ketone
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 202-490-3
- 96-22-0
- 9SLZ98M9NK
- CHEBI:87755
- DEK
- DIETHYLKETONE
- DTXCID301820
- DTXSID6021820
Show all 22 synonyms
- Diethyl ketone
- Diethylcetone
- Dimethylacetone
- Ethyl ketone
- Ethyl propionyl
- MFCD00009320
- Metacetone
- Methacetone
- NSC 8653
- NSC-8653
- Pentan-3-one
- Pentanone-3
- Propione
- RefChem:95267
Structure identifiers
- Canonical SMILES
- CCC(=O)CC
- Isomeric SMILES
- CCC(=O)CC
- InChI
- InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
- InChIKey
- FDPIMTJIUBPUKL-UHFFFAOYSA-N
- PubChem CID
- 7288
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
1715 cm−1C=O ketone (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for 3-PENTANONE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-PENTANONE; not experimental data.
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.