Molecular properties
- Formula
- C18H34
- Molar mass
- 250.50 g·mol−1
- Exact mass
- 250.2661 Da
- 2
- 0
- 0
- 0.00 Ų
- 8.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 629-89-0
- PubChem CID
- 69425
Molecule record
1-Octadecyne
C18H34
250.50 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 | 8.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 629-89-0
- 8U6AS2VE7S
- AKOS005384967
- Cetylacetylene
- DTXCID40134570
- DTXSID90212079
- EINECS 211-114-7
- Hexadecylacetylene
Show all 22 synonyms
- IYDNQWWOZQLMRH-UHFFFAOYSA-N
- MFCD00015088
- Octadecyne
- QSPL 036
- RefChem:76756
- SCHEMBL1228396
- SCHEMBL1453590
- SCHEMBL2010185
- SCHEMBL3628414
- SCHEMBL384472
- SCHEMBL512488
- STK050156
- UNII-8U6AS2VE7S
- octadec-1-yne
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCCC#C
- Isomeric SMILES
- CCCCCCCCCCCCCCCCC#C
- InChI
- InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3
- InChIKey
- IYDNQWWOZQLMRH-UHFFFAOYSA-N
- PubChem CID
- 69425
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-Octadecyne; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-Octadecyne; 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.