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Molecule record

2-NONANONE

C9H18O

142.24 g/mol

2D structure for 2-NONANONE

Molecular properties

Formula
C9H18O
Molar mass
142.24 g·mol−1
Exact mass
142.1358 Da
1
0
1
17.10 Ų
3.1 (PubChem computed XLogP3-AA descriptor)
CAS
821-55-6
PubChem CID
13187

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
Logp3.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • .beta.-Nonanone
  • 2-Nonanone (natural)
  • 2-Nonanone-d5
  • 212-480-0
  • 821-55-6
  • CHEBI:77927
  • DTXCID002125
  • DTXSID2022125
Show all 22 synonyms
  • FEMA No. 2785
  • Heptyl methyl ketone
  • Ketone, heptyl methyl
  • METHYL N-HEPTYL KETONE
  • MFCD00009553
  • Methyl heptyl ketone
  • Methyl heptyl ketone; Methyl n-heptyl ketone; NSC 14760
  • NSC 14760
  • NSC-14760
  • Nonan-2-one
  • RefChem:88764
  • ZE5K73YN2Z
  • beta-Nonanone
  • n-C7H15COCH3

Structure identifiers

Canonical SMILES
CCCCCCCC(=O)C
Isomeric SMILES
CCCCCCCC(=O)C
InChI
InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIKey
VKCYHJWLYTUGCC-UHFFFAOYSA-N
PubChem CID
13187

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-NONANONE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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
2-NONANONE - Formula, Structure, Properties, IR and spectroscopy data | ChemArche