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Molecule record

4-Nonanone

C9H18O

142.24 g/mol

2D structure for 4-Nonanone

Molecular properties

Formula
C9H18O
Molar mass
142.24 g·mol−1
Exact mass
142.1358 Da
1
0
1
17.10 Ų
2.8 (PubChem computed XLogP3-AA descriptor)
CAS
4485-09-0
PubChem CID
78236

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
Logp2.8PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 224-770-4
  • 4485-09-0
  • Amyl Propyl Ketone
  • CHEBI:179604
  • DTXCID2040361
  • DTXSID5063493
  • EINECS 224-770-4
  • LMFA12000148
Show all 22 synonyms
  • MFCD00027286
  • N-Amyl N-propylketone
  • Nonan-4-one
  • Nonan4one
  • Pentyl Propyl Ketone
  • Propyl amyl ketone
  • RefChem:526040
  • SCHEMBL10904137
  • SCHEMBL127973
  • SCHEMBL129431
  • SCHEMBL129432
  • SCHEMBL6468663
  • SCHEMBL6468666
  • n-Pentyl n-propyl ketone

Structure identifiers

Canonical SMILES
CCCCCC(=O)CCC
Isomeric SMILES
CCCCCC(=O)CCC
InChI
InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3
InChIKey
TYBCSQFBSWACAA-UHFFFAOYSA-N
PubChem CID
78236

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 4-Nonanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-Nonanone; 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