ChemArche
Sign inAccount

Molecule record

4-Undecanone

C11H22O

170.29 g/mol

2D structure for 4-Undecanone

Molecular properties

Formula
C11H22O
Molar mass
170.29 g·mol−1
Exact mass
170.1671 Da
1
0
1
17.10 Ų
4 (PubChem computed XLogP3-AA descriptor)
CAS
14476-37-0
PubChem CID
84467

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
Logp4PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 14476-37-0
  • 238-474-8
  • 4-Undecanone, AldrichCPR
  • AKOS009159480
  • BPM2B95KTQ
  • DTXCID1085289
  • DTXSID00162798
  • EINECS 238-474-8
Show all 22 synonyms
  • Heptyl propyl ketone
  • LMFA12000061
  • MFCD00048923
  • NBSLHMOSERBUOV-UHFFFAOYSA-N
  • NSC 158509
  • NSC-158509
  • NSC158509
  • RefChem:100572
  • SCHEMBL579987
  • SCHEMBL7839409
  • SCHEMBL9113837
  • SCHEMBL9115731
  • Undecan-4-one
  • Undecan4one

Structure identifiers

Canonical SMILES
CCCCCCCC(=O)CCC
Isomeric SMILES
CCCCCCCC(=O)CCC
InChI
InChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h3-10H2,1-2H3
InChIKey
NBSLHMOSERBUOV-UHFFFAOYSA-N
PubChem CID
84467

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-Undecanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-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
4-Undecanone - Formula, Structure, Properties, IR and spectroscopy data | ChemArche