Molecular properties
- Formula
- C18H35N
- Molar mass
- 265.50 g·mol−1
- Exact mass
- 265.2770 Da
- 2
- 0
- 1
- 23.80 Ų
- 8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 638-65-3
- PubChem CID
- 12532
Molecule record
Octadecanenitrile
C18H35N
265.50 g/mol
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
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Cyanoheptadecane
- 211-345-3
- 638-65-3
- C18H35N
- CHEBI:133638
- DTXCID507280
- DTXSID4027280
- HSDB 5735
Show all 22 synonyms
- Heptadecyl cyanide
- MFCD00001947
- NSC-5541
- Nitril kyseliny stearove
- Nitril kyseliny stearove [Czech]
- OCTADECANONITRILE
- Octadecanoic acid, nitrile
- Oktadekannitril
- Oktadekannitril [Czech]
- QXY19Q5N5I
- RefChem:167602
- Stearinsaeurenitril
- Stearinsaeurenitril [German]
- Stearonitrile
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCCCC#N
- Isomeric SMILES
- CCCCCCCCCCCCCCCCCC#N
- InChI
- InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3
- InChIKey
- RHSBIGNQEIPSCT-UHFFFAOYSA-N
- PubChem CID
- 12532
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
2250 cm−1C≡N nitrile (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Octadecanenitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Octadecanenitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.