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Molecule record

2-Pentanone

C5H10O

86.13 g/mol

2D structure for 2-Pentanone

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
107-87-9
PubChem CID
7895

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

PropertyValueConditionsSource
Logp0.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 107-87-9
  • 203-528-1
  • 4-methyl-2-butanone
  • AI3-32118
  • CHEBI:16472
  • DTXCID301888
  • DTXSID0021888
  • Ethyl acetone
Show all 22 synonyms
  • Ethylacetone
  • FEMA No. 2842
  • FEMA Number 2842
  • I97392I10V
  • METHYL PROPYL KETONE
  • Methyl n-propyl ketone
  • Methyl-n-propyl ketone
  • Methyl-propyl-cetone
  • Methylpropyl ketone
  • Metylopropyloketon
  • NSC-5350
  • PENTAN-2-ONE
  • Propyl methyl ketone
  • RefChem:88968

Structure identifiers

Canonical SMILES
CCCC(=O)C
Isomeric SMILES
CCCC(=O)C
InChI
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIKey
XNLICIUVMPYHGG-UHFFFAOYSA-N
PubChem CID
7895

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1715 cm−1C=O ketone (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for 2-Pentanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-Pentanone; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record