Molecule record

Hexadecanenitrile

C₁₆H₃₁N

237.42 g/mol

Molecular properties

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.

Nitrile

Property	Value	Conditions	Source
Logp	6.9	PubChem computed XLogP3-AA descriptor	PubChem(link only)

Show all 21 synonyms

Canonical SMILES: CCCCCCCCCCCCCCCC#N
Isomeric SMILES: CCCCCCCCCCCCCCCC#N
InChI: InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3
InChIKey: WGXGAUQEMYSVJM-UHFFFAOYSA-N
PubChem CID: 69424

Tabs appear only for spectra stored with clear provenance.

Predicted FTIR / %T

4 cm^-1 resolution / deterministic instrument profile

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ResolutionNoise

2250 cm⁻¹C≡N nitrile (simulated)

2960 cm⁻¹sp3 C-H (simulated)

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

On-demand educational fragmentation for Hexadecanenitrile; not experimental data.

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

ChemForge original educational simulation.