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Molecule record

UNDECANAL

C11H22O

170.29 g/mol

2D structure for UNDECANAL

Molecular properties

Formula
C11H22O
Molar mass
170.29 g·mol−1
Exact mass
170.1671 Da
1
0
1
17.10 Ų
4.3 (PubChem computed XLogP3-AA descriptor)
CAS
112-44-7
PubChem CID
8186

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

Aldehyde

Physical properties

PropertyValueConditionsSource
Logp4.3PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Undecanal
  • 112-44-7
  • 203-972-6
  • Aldehyde C-11
  • B6P0A9PSHN
  • C-11 aldehyde, undecylic
  • C11 aldehyde
  • CHEBI:46202
Show all 22 synonyms
  • DTXCID901688
  • DTXSID4021688
  • FEMA No. 3092
  • Hendecanal
  • Hendecanaldehyde
  • NSC-22578
  • RefChem:193068
  • Undecanaldehyde
  • Undecanone, alpha-
  • Undecyl aldehyde
  • Undecylaldehyde
  • Undecylic aldehyde
  • n-Undecanal
  • n-Undecyl aldehyde

Structure identifiers

Canonical SMILES
CCCCCCCCCCC=O
Isomeric SMILES
CCCCCCCCCCC=O
InChI
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
InChIKey
KMPQYAYAQWNLME-UHFFFAOYSA-N
PubChem CID
8186

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

1725 cm−1C=O aldehyde (simulated)
2720 cm−1aldehyde C-H (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for UNDECANAL; not experimental data.

Simulated EI mass spectrum

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