Molecular properties
- Formula
- C16H30
- Molar mass
- 222.41 g·mol−1
- Exact mass
- 222.2348 Da
- 2
- 0
- 0
- 0.00 Ų
- 7.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 629-74-3
- PubChem CID
- 12396
Molecule record
1-HEXADECYNE
C16H30
222.41 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 | 7.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 629-74-3
- AKOS015836227
- BS-22713
- CS-0206615
- D90869
- DTXCID7043582
- DTXSID2060880
- EINECS 211-106-3
Show all 22 synonyms
- H0433
- MFCD00015084
- N-TETRADECYLACETYLENE
- NS00035234
- RefChem:75904
- SBB008791
- SCHEMBL1275460
- SCHEMBL1454238
- SCHEMBL3626444
- SCHEMBL385717
- SCHEMBL514779
- Tetradecylacetylene
- UCIDYSLOTJMRAM-UHFFFAOYSA-N
- hexadec-1-yne
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCC#C
- Isomeric SMILES
- CCCCCCCCCCCCCCC#C
- InChI
- InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3
- InChIKey
- UCIDYSLOTJMRAM-UHFFFAOYSA-N
- PubChem CID
- 12396
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-HEXADECYNE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-HEXADECYNE; 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.