Molecular properties
- Formula
- C10H18
- Molar mass
- 138.25 g·mol−1
- Exact mass
- 138.1409 Da
- 2
- 0
- 0
- 0.00 Ų
- 4.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 764-93-2
- PubChem CID
- 12997
Molecule record
1-DECYNE
C10H18
138.25 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 | 4.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Decyne, 98%
- 27381-15-3
- 764-93-2
- CHEBI:87322
- Decyne
- EINECS 212-132-8
- MFCD00009576
- Octylacetylene
Show all 22 synonyms
- SCHEMBL129709
- SCHEMBL1452837
- SCHEMBL16085891
- SCHEMBL16287870
- SCHEMBL17537230
- SCHEMBL291793
- SCHEMBL38737
- SCHEMBL67396
- ULR28GD98Q
- UNII-ULR28GD98Q
- dec-1-yne
- deca-1-yne
- decine
- n-Octylacetylene
Structure identifiers
- Canonical SMILES
- CCCCCCCCC#C
- Isomeric SMILES
- CCCCCCCCC#C
- InChI
- InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3
- InChIKey
- ILLHQJIJCRNRCJ-UHFFFAOYSA-N
- PubChem CID
- 12997
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-DECYNE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-DECYNE; 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.