Molecular properties
- Formula
- C13H27I
- Molar mass
- 310.26 g·mol−1
- Exact mass
- 310.1157 Da
- 0
- 0
- 0
- 0.00 Ų
- 7.7 (PubChem computed XLogP3-AA descriptor)
- PubChem CID
- 12346031
Molecule record
SCHEMBL10702807
C13H27I
310.26 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 | 7.7 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 2-iodotridecane
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCC(C)I
- Isomeric SMILES
- CCCCCCCCCCCC(C)I
- InChI
- InChI=1S/C13H27I/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12H2,1-2H3
- InChIKey
- ASSADYCDCFDMGK-UHFFFAOYSA-N
- PubChem CID
- 12346031
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 SCHEMBL10702807; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for SCHEMBL10702807; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.