Molecular properties
- Formula
- C9H16
- Molar mass
- 124.22 g·mol−1
- Exact mass
- 124.1252 Da
- 2
- 0
- 0
- 0.00 Ų
- 4 (PubChem computed XLogP3-AA descriptor)
- CAS
- 19447-29-1
- PubChem CID
- 140536
Molecule record
2-Nonyne
C9H16
124.22 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 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 19447-29-1
- 2-C9H16
- 678-271-5
- AKOS015841157
- DTXCID8095568
- DTXSID10173077
- LXKRETAGISZJAD-UHFFFAOYSA-N
- MFCD00039986
Show all 15 synonyms
- RefChem:88778
- SCHEMBL1116761
- SCHEMBL184684
- SCHEMBL2119102
- SCHEMBL54883
- SCHEMBL5855735
- non-2-yne
Structure identifiers
- Canonical SMILES
- CCCCCCC#CC
- Isomeric SMILES
- CCCCCCC#CC
- InChI
- InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7-9H2,1-2H3
- InChIKey
- LXKRETAGISZJAD-UHFFFAOYSA-N
- PubChem CID
- 140536
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-Nonyne; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-Nonyne; 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.