Basic information
- Standard SMILES
CCCC(C(=O)Oc1c(I)cc(I)cc1I)C(C)C- InChIKey
AZGCLJXSWUJYNV-UHFFFAOYSA-N- Molecular formula
- C14H17I3O2
- Average molar mass
- 598 g/mol
- Monoisotopic mass
- 597.8363
Names & identifiers
- Preferred name
- 2,4,6-Triiodophenyl (2-propyl)pentanoate
- IUPAC
- (2,4,6-triiodophenyl) 2-propan-2-ylpentanoate
Names & synonyms
AZGCLJXSWUJYNV-UHFFFAOYSA-N2,4,6-Triiodophenyl (2-propyl)pentanoate
Database identifiers
- PubChem CID
- 86747892
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
4 records
Compound notes
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