Molecular properties
- Formula
- C6H10
- Molar mass
- 82.14 g·mol−1
- Exact mass
- 82.0783 Da
- 2
- 0
- 0
- 0.00 Ų
- 2.4 (PubChem computed XLogP3-AA descriptor)
- CAS
- 693-02-7
- PubChem CID
- 12732
Molecule record
1-HEXYNE
C6H10
82.14 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 | 2.4 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Hexyn; Butylacetylene; NSC 9709; n-Butylacetylene
- 1-Hexyne, 97%
- 1-hexyn
- 211-736-9
- 26856-30-4
- 28827-85-2
- 5FZF2F38F5
- 693-02-7
Show all 22 synonyms
- Butylacetylene
- CHEBI:176793
- DTXCID20818447
- DTXSID30870753
- EINECS 211-736-9
- HEXYNE
- Hex-1-yne
- MFCD00009504
- NSC 9709
- NSC-9709
- RefChem:1055562
- UNII-5FZF2F38F5
- n-Butylacetylene
- n-hexyne
Structure identifiers
- Canonical SMILES
- CCCCC#C
- Isomeric SMILES
- CCCCC#C
- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
- InChIKey
- CGHIBGNXEGJPQZ-UHFFFAOYSA-N
- PubChem CID
- 12732
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-HEXYNE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-HEXYNE; 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.