Molecular properties
- Formula
- C7H15I
- Molar mass
- 226.10 g·mol−1
- Exact mass
- 226.0219 Da
- 0
- 0
- 0
- 0.00 Ų
- 4.7 (PubChem computed XLogP3-AA descriptor)
- CAS
- 4282-40-0
- PubChem CID
- 20274
Molecule record
1-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
Alkyl halide
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 4.7 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Iodomeptane
- 1-iodo-heptane
- 224-285-8
- 4282-40-0
- AS02231
- ATTERCOP-CHM AT113493
- C7H15I
- DTXCID6040167
Show all 22 synonyms
- DTXSID2063393
- EINECS 224-285-8
- Heptane, 1-iodo-
- Heptane, 1iodo
- Heptyl iodide
- InChI=1/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H
- LABOTEST-BB LTBB002860
- LMHCYRULPLGEEZ-UHFFFAOYSA-N
- MFCD00001104
- NSC 7316
- RefChem:76097
- iodoheptane
- n-Heptyl iodide
- nHeptyl iodide
Structure identifiers
- Canonical SMILES
- CCCCCCCI
- Isomeric SMILES
- CCCCCCCI
- InChI
- InChI=1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3
- InChIKey
- LMHCYRULPLGEEZ-UHFFFAOYSA-N
- PubChem CID
- 20274
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-IODOHEPTANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-IODOHEPTANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.