Molecular properties
- Formula
- C20H38
- Molar mass
- 278.50 g·mol−1
- Exact mass
- 278.2974 Da
- 2
- 0
- 0
- 0.00 Ų
- 10 (PubChem computed XLogP3-AA descriptor)
- CAS
- 765-27-5
- PubChem CID
- 13001
Molecule record
1-EICOSYNE
C20H38
278.50 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- 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
Alkyne
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 10 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Icosyne
- 1-Icosyne #
- 765-27-5
- BDBM46142
- BUSHLWVWPAEVMX-UHFFFAOYSA-N
- CHEMBL1329983
- DTXCID30149794
- DTXSID70227303
Show all 19 synonyms
- H83810
- MLS-0091932.0001
- RefChem:1055357
- SCHEMBL1274555
- SCHEMBL1470569
- SCHEMBL1611398
- SCHEMBL3764647
- cid_13001
- cosyn
- eicos-1-yne
- icos-1-yne
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCCCCC#C
- Isomeric SMILES
- CCCCCCCCCCCCCCCCCCC#C
- InChI
- InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h1H,4-20H2,2H3
- InChIKey
- BUSHLWVWPAEVMX-UHFFFAOYSA-N
- PubChem CID
- 13001
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
2120 cm−1C≡C alkyne (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for 1-EICOSYNE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-EICOSYNE; 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.