Molecular properties
- Formula
- C12H22
- Molar mass
- 166.30 g·mol−1
- Exact mass
- 166.1722 Da
- 2
- 0
- 0
- 0.00 Ų
- 5.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 629-49-2
- PubChem CID
- 136452
Molecule record
2-Dodecyne
C12H22
166.30 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 | 5.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 2-C12H22
- 629-49-2
- DTXCID10134567
- DTXSID10212076
- NDIJGAGRSOPRNJ-UHFFFAOYSA-N
- RefChem:86805
- SCHEMBL313636
- SCHEMBL455197
Show all 13 synonyms
- SCHEMBL514166
- SCHEMBL5984873
- SCHEMBL6561950
- SCHEMBL9250669
- dodec-2-yne
Structure identifiers
- Canonical SMILES
- CCCCCCCCCC#CC
- Isomeric SMILES
- CCCCCCCCCC#CC
- InChI
- InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7-12H2,1-2H3
- InChIKey
- NDIJGAGRSOPRNJ-UHFFFAOYSA-N
- PubChem CID
- 136452
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-Dodecyne; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-Dodecyne; 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.