Molecular properties
- Formula
- C7H15I
- Molar mass
- 226.10 g·mol−1
- Exact mass
- 226.0219 Da
- 0
- 0
- 0
- 0.00 Ų
- 4.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 18589-29-2
- PubChem CID
- 519590
Molecule record
2-Iodoheptane
C7H15I
226.10 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 | 4.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 18589-29-2
- 2-iodo-heptane
- DTXCID50285168
- DTXSID40334078
- Heptane, 2-iodo-
- QAUTWECDRZFXMN-UHFFFAOYSA-N
- RefChem:1063529
- SCHEMBL7863845
Show all 10 synonyms
- SCHEMBL7863846
- SCHEMBL7870970
Structure identifiers
- Canonical SMILES
- CCCCCC(C)I
- Isomeric SMILES
- CCCCCC(C)I
- InChI
- InChI=1S/C7H15I/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
- InChIKey
- QAUTWECDRZFXMN-UHFFFAOYSA-N
- PubChem CID
- 519590
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-Iodoheptane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-Iodoheptane; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.