Molecular properties
- Formula
- C8H18
- Molar mass
- 114.23 g·mol−1
- Exact mass
- 114.1409 Da
- 0
- 0
- 0
- 0.00 Ų
- 3.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 111-65-9
- PubChem CID
- 356
Molecule record
octane
C8H18
114.23 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
No functional-group assignment has been curated yet.
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 3.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 111-65-9
- 203-892-1
- 608-610-4
- CH3-[CH2]6-CH3
- CHEBI:17590
- DTXCID406882
- DTXSID0026882
- Heptane, methyl-
Show all 23 synonyms
- MFCD00009556
- NSC-9822
- Normal octane
- Octane, all isomers
- Oktan
- Oktan [Polish]
- Oktanen
- Oktanen [Dutch]
- Ottani
- Ottani [Italian]
- RefChem:6664
- X1RV0B2FJV
- n-Oktan
- n-octane
- normal-Octane
Structure identifiers
- Canonical SMILES
- CCCCCCCC
- Isomeric SMILES
- CCCCCCCC
- InChI
- InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
- InChIKey
- TVMXDCGIABBOFY-UHFFFAOYSA-N
- PubChem CID
- 356
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for octane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for octane; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.