Molecular properties
- Formula
- C17H32
- Molar mass
- 236.40 g·mol−1
- Exact mass
- 236.2504 Da
- 2
- 0
- 0
- 0.00 Ų
- 8.4 (PubChem computed XLogP3-AA descriptor)
- CAS
- 26186-00-5
- PubChem CID
- 141274
Molecule record
1-Heptadecyne
C17H32
236.40 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 | 8.4 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 26186-00-5
- 679-898-7
- AKOS005596119
- AS-56477
- BBA18600
- CS-0316287
- DQDNKQWGBZFFRA-UHFFFAOYSA-N
- DTXCID20103305
Show all 22 synonyms
- DTXSID80180814
- H0440
- MFCD00015087
- Pentadecylacetylene
- RefChem:75852
- SCHEMBL1452815
- SCHEMBL1470620
- SCHEMBL3629239
- SCHEMBL387521
- ST4097958
- STK680433
- SY053938
- T72187
- heptadec-1-yne
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCC#C
- Isomeric SMILES
- CCCCCCCCCCCCCCCC#C
- InChI
- InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1H,4-17H2,2H3
- InChIKey
- DQDNKQWGBZFFRA-UHFFFAOYSA-N
- PubChem CID
- 141274
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-Heptadecyne; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-Heptadecyne; 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.