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Molecule record

3-NONANONE

C9H18O

142.24 g/mol

2D structure for 3-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
925-78-0
PubChem CID
61235

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

  • 00C380UHNL
  • 3-NONANONE [FHFI]
  • 3-Nonanone (natural)
  • 3-Nonanone, 99%
  • 3Nonanone (natural)
  • 925-78-0
  • AI3-36117
  • DTXCID9048801
Show all 22 synonyms
  • DTXSID1061289
  • EINECS 213-125-2
  • Ethyl hexyl ketone
  • Ethyl n-hexyl ketone
  • FEMA 3440
  • FEMA No. 3440
  • IYTXKIXETAELAV-UHFFFAOYSA-N
  • MFCD00009541
  • RefChem:95071
  • SCHEMBL104700
  • SCHEMBL128010
  • UNII-00C380UHNL
  • n-Hexyl ethyl ketone
  • nonan-3-one

Structure identifiers

Canonical SMILES
CCCCCCC(=O)CC
Isomeric SMILES
CCCCCCC(=O)CC
InChI
InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
InChIKey
IYTXKIXETAELAV-UHFFFAOYSA-N
PubChem CID
61235

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 3-NONANONE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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