Molecular properties
- Formula
- C6H13I
- Molar mass
- 212.07 g·mol−1
- Exact mass
- 212.0062 Da
- 0
- 0
- 0
- 0.00 Ų
- 4.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 638-45-9
- PubChem CID
- 12527
Molecule record
1-IODOHEXANE
C6H13I
212.07 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
Alkyl halide
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 4.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Hexyl iodide
- 1-iodo-hexane
- 1-iodo-n-hexane
- 211-339-0
- 25495-92-5
- 27F4BFU2DR
- 638-45-9
- ANOOTOPTCJRUPK-UHFFFAOYSA-
Show all 22 synonyms
- DTXCID2029298
- DTXSID2049341
- EINECS 211-339-0
- Hexane, 1-iodo-
- Hexane,1-iodo-
- Hexyl iodide
- IODOHEXANE
- InChI=1/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
- MFCD00001102
- NSC 9251
- NSC-9251
- RefChem:433279
- n-Hexyl iodide
- n-hexyliodide
Structure identifiers
- Canonical SMILES
- CCCCCCI
- Isomeric SMILES
- CCCCCCI
- InChI
- InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
- InChIKey
- ANOOTOPTCJRUPK-UHFFFAOYSA-N
- PubChem CID
- 12527
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 1-IODOHEXANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-IODOHEXANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.