Molecular properties
- Formula
- C8H16
- Molar mass
- 112.21 g·mol−1
- Exact mass
- 112.1252 Da
- 1
- 0
- 0
- 0.00 Ų
- 4.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 111-66-0
- PubChem CID
- 8125
Molecule record
1-OCTENE
C8H16
112.21 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
Alkene
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 4.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- .alpha.-Octene
- .alpha.-Octylene
- 1-Caprylene
- 1-Octylene
- 111-66-0
- 203-893-7
- CHEBI:46708
- Caprylene
Show all 22 synonyms
- DTXCID705804
- DTXSID6025804
- E5VK21B9RC
- MFCD00009548
- NSC 8457
- NSC-8457
- OCTENE-1
- Oct-1-ene
- Octene
- Octylene
- RefChem:435206
- alpha-Octene
- alpha-Octylene
- n-1-Octene
Structure identifiers
- Canonical SMILES
- CCCCCCC=C
- Isomeric SMILES
- CCCCCCC=C
- InChI
- InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
- InChIKey
- KWKAKUADMBZCLK-UHFFFAOYSA-N
- PubChem CID
- 8125
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
1645 cm−1C=C alkene (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for 1-OCTENE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-OCTENE; 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.