Molecular properties
- Formula
- C8H17I
- Molar mass
- 240.12 g·mol−1
- Exact mass
- 240.0375 Da
- 0
- 0
- 0
- 0.00 Ų
- 5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 557-36-8
- PubChem CID
- 11193
Molecule record
2-IODOOCTANE
C8H17I
240.12 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 | 5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (+-)-2-OCTYL IODIDE
- 2-Octyl iodide
- 2-iodo-octane
- 209-172-3
- 2Iodooctane
- 2Octyl iodide
- 557-36-8
- 89710GTW4Y
Show all 21 synonyms
- DTXCID20217779
- DTXSID90870613
- EINECS 209-172-3
- Octane, 2-iodo-
- Octane, 2iodo
- RefChem:87691
- SCHEMBL27855958
- SCHEMBL6032249
- SCHEMBL7864043
- SEC-OCTYL IODIDE [MI]
- UNII-89710GTW4Y
- XFLOGTUFKZCFTK-UHFFFAOYSA-N
- sec-Octyl iodide
Structure identifiers
- Canonical SMILES
- CCCCCCC(C)I
- Isomeric SMILES
- CCCCCCC(C)I
- InChI
- InChI=1S/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3
- InChIKey
- XFLOGTUFKZCFTK-UHFFFAOYSA-N
- PubChem CID
- 11193
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-IODOOCTANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-IODOOCTANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.