ChemArche
Sign inAccount

Molecule record

UNDECANENITRILE

C11H21N

167.29 g/mol

2D structure for UNDECANENITRILE

Molecular properties

Formula
C11H21N
Molar mass
167.29 g·mol−1
Exact mass
167.1674 Da
2
0
1
23.80 Ų
4.2 (PubChem computed XLogP3-AA descriptor)
CAS
2244-07-7
PubChem CID
16722

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

Nitrile

Physical properties

PropertyValueConditionsSource
Logp4.2PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Cyanodecane
  • 1-DECYL CYANIDE
  • 1Cyanodecane
  • 2244-07-7
  • AI3-28302
  • BQC7C2WO2K
  • DTXCID4036697
  • DTXSID3062289
Show all 22 synonyms
  • Decyl Cyanide
  • EINECS 218-826-7
  • MFCD00001945
  • NSC 4026
  • NSC-4026
  • RefChem:193081
  • SZKKNEOUHLFYNA-UHFFFAOYSA-N
  • UNII-BQC7C2WO2K
  • Undecanoic acid nitrile
  • Undecanonitrile
  • hendecanenitrile
  • n-Decyl cyanide
  • n-Undecanonitrile
  • nUndecanonitrile

Structure identifiers

Canonical SMILES
CCCCCCCCCCC#N
Isomeric SMILES
CCCCCCCCCCC#N
InChI
InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3
InChIKey
SZKKNEOUHLFYNA-UHFFFAOYSA-N
PubChem CID
16722

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

2250 cm−1C≡N nitrile (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

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

Simulated EI mass spectrum

On-demand educational fragmentation for UNDECANENITRILE; 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