Molecular properties
- Formula
- C16H34
- Molar mass
- 226.44 g·mol−1
- Exact mass
- 226.2661 Da
- 0
- 0
- 0
- 0.00 Ų
- 8.3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 544-76-3
- PubChem CID
- 11006
Molecule record
HEXADECANE
C16H34
226.44 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 | 8.3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 208-878-9
- 544-76-3
- CCRIS 5833
- CHEBI:45296
- Cetan
- Cetane
- DTXCID607195
- DTXSID0027195
Show all 22 synonyms
- F8Z00SHP6Q
- Hexadecane solution
- Hexadecane, analytical standard
- Hexadecane-1-D 98 atom % d
- Hexadekan
- MFCD00008998
- NSC-7334
- PARAFOL 16-97
- Pentadecane, methyl-
- RefChem:5883
- Zetan
- hexadecan
- n-Cetane
- n-Hexadecane
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCC
- Isomeric SMILES
- CCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChIKey
- DCAYPVUWAIABOU-UHFFFAOYSA-N
- PubChem CID
- 11006
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 HEXADECANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for HEXADECANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.