Basic information
- Standard SMILES
CC1(C)O[C@@H]2[C@@H](C=C(I)[C@@H]2O)O1- InChIKey
CHZQPISQCHBLHW-DSYKOEDSSA-N- Molecular formula
- C8H11IO3
- Average molar mass
- 282.08 g/mol
Names & identifiers
- Preferred name
- (3aS,4R,6aR)-5-iodo-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
- IUPAC
- (3aS,4R,6aR)-5-iodo-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
Names & synonyms
SCHEMBL2020417CHZQPISQCHBLHW-DSYKOEDSSA-N(3aS, 4R,6aR)-5-iodo-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol(3aS,4R,6aR)-5-iodo-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
Database identifiers
- PubChem CID
- 67250445
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 236
Related reactions
2 records
Compound notes
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