Molecular properties
- Formula
- C4H6
- Molar mass
- 54.09 g·mol−1
- Exact mass
- 54.0470 Da
- 2
- 0
- 0
- 0.00 Ų
- 1.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 503-17-3
- PubChem CID
- 10419
Molecule record
2-BUTYNE
C4H6
54.09 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 | 1.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 2-BUTINE
- 2-Butyne, 99%
- 2-butyn
- 25684-85-9
- 4-butyne
- 503-17-3
- But-2-yne
- CH3C.$.CCH3
Show all 22 synonyms
- Crotonylene
- Dimethylacetylene
- EINECS 207-962-2
- LKE6D3018E
- MFCD00009275
- RefChem:86060
- SCHEMBL18681
- SCHEMBL231187
- SCHEMBL3561
- SCHEMBL51760
- UN1144
- UNII-LKE6D3018E
- but-4-yne
- dimethyl acetylene
Structure identifiers
- Canonical SMILES
- CC#CC
- Isomeric SMILES
- CC#CC
- InChI
- InChI=1S/C4H6/c1-3-4-2/h1-2H3
- InChIKey
- XNMQEEKYCVKGBD-UHFFFAOYSA-N
- PubChem CID
- 10419
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-BUTYNE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-BUTYNE; 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.