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Molecule record

2-Undecanone

C11H22O

170.29 g/mol

2D structure for 2-Undecanone

Molecular properties

Formula
C11H22O
Molar mass
170.29 g·mol−1
Exact mass
170.1671 Da
1
0
1
17.10 Ų
4.1 (PubChem computed XLogP3-AA descriptor)
CAS
112-12-9
PubChem CID
8163

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
Logp4.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 112-12-9
  • 2-Hendecanone
  • 2-Oxoundecane
  • 203-937-5
  • CHEBI:17700
  • DTXCID301943
  • DTXSID2021943
  • FEMA No. 3093
Show all 22 synonyms
  • Ketone, methyl nonyl
  • METHYL N-NONYL KETONE
  • MFCD00009583
  • MGK Dog and Cat Repellent
  • Methyl nonyl ketone
  • Methylnonylketone
  • NSC-4028
  • Nonyl methyl ketone
  • RefChem:89515
  • Rue ketone
  • UNDECANONE
  • Undecan-2-one
  • Undecanone-(2)
  • YV5DSO8CY9

Structure identifiers

Canonical SMILES
CCCCCCCCCC(=O)C
Isomeric SMILES
CCCCCCCCCC(=O)C
InChI
InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
InChIKey
KYWIYKKSMDLRDC-UHFFFAOYSA-N
PubChem CID
8163

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-Undecanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-Undecanone; 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