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
- 764-35-2
- PubChem CID
- 33629
Molecule record
2-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-Methyl-2-propylacetylene
- 2-Hexyne, 99%
- 764-35-2
- C3H7C.$.CCH3
- EC0WA2IXU7
- EINECS 212-117-6
- Hex-2-yne
- MFCD00009470
Show all 21 synonyms
- Methyl propyl acetylene
- Methyl(propyl)acetylene
- SCHEMBL1129022
- SCHEMBL1897706
- SCHEMBL23013
- SCHEMBL23893
- SCHEMBL38914
- SCHEMBL38915
- SCHEMBL4486452
- SCHEMBL7744
- SCHEMBL7796
- SCHEMBL971763
- UNII-EC0WA2IXU7
Structure identifiers
- Canonical SMILES
- CCCC#CC
- Isomeric SMILES
- CCCC#CC
- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3
- InChIKey
- MELUCTCJOARQQG-UHFFFAOYSA-N
- PubChem CID
- 33629
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 2-HEXYNE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-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.