Molecular properties
- Formula
- C6H14
- Molar mass
- 86.18 g·mol−1
- Exact mass
- 86.1096 Da
- 0
- 0
- 0
- 0.00 Ų
- 3.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 110-54-3
- PubChem CID
- 8058
Molecule record
HEXANE
C6H14
86.18 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
- 110-54-3
- 1S70G88A39
- 203-777-6
- 2DDG612ED8
- 92112-69-1
- CHEBI:29021
- DTXCID001917
- DTXSID0021917
Show all 22 synonyms
- Dipropyl
- Esani
- Gettysolve-B
- Heksan
- Hexanen
- Hexanes
- Hexyl hydride
- NCI-C60571
- NSC-68472
- NSC68472
- RefChem:6658
- Skellysolve B
- n-Hexane
- normal-hexane
Structure identifiers
- Canonical SMILES
- CCCCCC
- Isomeric SMILES
- CCCCCC
- InChI
- InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
- InChIKey
- VLKZOEOYAKHREP-UHFFFAOYSA-N
- PubChem CID
- 8058
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 HEXANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for HEXANE; not experimental data.
Related molecules
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.