Molecular properties
- Formula
- C5H8
- Molar mass
- 68.12 g·mol−1
- Exact mass
- 68.0626 Da
- 2
- 0
- 0
- 0.00 Ų
- 1.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 627-21-4
- PubChem CID
- 12310
Molecule record
2-PENTYNE
C5H8
68.12 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 | 1.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Ethyl-2-methylacetylene
- 2-Pentyne, 98%
- 57NG6HKI9D
- 627-21-4
- C2H5C.$.CCH3
- EINECS 210-989-2
- Ethylmethylacetylene
- METHYL ETHYL ACETYLENE
Show all 22 synonyms
- MFCD00009380
- Pent-2-yne
- SCHEMBL1127543
- SCHEMBL13355
- SCHEMBL23667
- SCHEMBL23668
- SCHEMBL329192
- SCHEMBL4475210
- SCHEMBL6487621
- SCHEMBL6488406
- SCHEMBL74382
- SCHEMBL7782
- SCHEMBL936061
- UNII-57NG6HKI9D
Structure identifiers
- Canonical SMILES
- CCC#CC
- Isomeric SMILES
- CCC#CC
- InChI
- InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3
- InChIKey
- NKTDTMONXHODTI-UHFFFAOYSA-N
- PubChem CID
- 12310
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-PENTYNE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-PENTYNE; 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.