Molecular properties
- Formula
- C12H25I
- Molar mass
- 296.23 g·mol−1
- Exact mass
- 296.1001 Da
- 0
- 0
- 0
- 0.00 Ų
- 7.2 (PubChem computed XLogP3-AA descriptor)
- PubChem CID
- 11833351
Molecule record
SCHEMBL21462877
C12H25I
296.23 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 | 7.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 2-iodododecane
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCC(C)I
- Isomeric SMILES
- CCCCCCCCCCC(C)I
- InChI
- InChI=1S/C12H25I/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
- InChIKey
- AUNKHUQNKUEUJA-UHFFFAOYSA-N
- PubChem CID
- 11833351
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 SCHEMBL21462877; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for SCHEMBL21462877; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.