Molecular properties
- Formula
- C20H39N
- Molar mass
- 293.50 g·mol−1
- Exact mass
- 293.3083 Da
- 2
- 0
- 1
- 23.80 Ų
- 9.1 (PubChem computed XLogP3-AA descriptor)
- CAS
- 4616-73-3
- PubChem CID
- 78358
Molecule record
Eicosanenitrile
C20H39N
293.50 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 | 9.1 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 4616-73-3
- BYCIKRXQXRFYED-UHFFFAOYSA-N
- DTXCID50119237
- DTXSID10196746
- Eicosanonitrile
- Icosanenitrile
- Icosanenitrile #
- OST0HZ759A
Show all 14 synonyms
- RefChem:136395
- SCHEMBL2154283
- SCHEMBL4754613
- SCHEMBL4754615
- UNII-OST0HZ759A
- octadecyl-acetonitrile
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCCCCCC#N
- Isomeric SMILES
- CCCCCCCCCCCCCCCCCCCC#N
- InChI
- InChI=1S/C20H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-19H2,1H3
- InChIKey
- BYCIKRXQXRFYED-UHFFFAOYSA-N
- PubChem CID
- 78358
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 Eicosanenitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Eicosanenitrile; 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.