Molecular properties
- Formula
- C6H13I
- Molar mass
- 212.07 g·mol−1
- Exact mass
- 212.0062 Da
- 0
- 0
- 0
- 0.00 Ų
- 3.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 18589-27-0
- PubChem CID
- 33019
Molecule record
2-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
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
- 18589-27-0
- 242-428-2
- DB-044573
- DTXCID801368489
- DTXSID80940011
- EINECS 242-428-2
- Hexane, 2-iodo-
- NS00052673
Show all 15 synonyms
- RefChem:87685
- SCHEMBL2803261
- SCHEMBL537515
- SCHEMBL6784826
- SCHEMBL7870991
- SCHEMBL7871053
- XCEDNORUDUKWGK-UHFFFAOYSA-N
Structure identifiers
- Canonical SMILES
- CCCCC(C)I
- Isomeric SMILES
- CCCCC(C)I
- InChI
- InChI=1S/C6H13I/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
- InChIKey
- XCEDNORUDUKWGK-UHFFFAOYSA-N
- PubChem CID
- 33019
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 2-Iodohexane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-Iodohexane; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.