Basic information
- CAS
60075-70-9- Standard SMILES
CC(C)CC(C)OC(=O)OCc1ccc(I)cc1- InChIKey
BCJVBOPJQSQTSA-UHFFFAOYSA-N- Molecular formula
- C14H19IO3
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 362.03789
Names & identifiers
- Preferred name
- Carbonic acid, 1,3-dimethylbutyl p-iodobenzyl ester
- IUPAC
- (4-iodophenyl)methyl 4-methylpentan-2-yl carbonate
Names & synonyms
60075-70-9CARBONIC ACID, 1,3-DIMETHYLBUTYL p-IODOBENZYL ESTERRefChem:10812111,3-Dimethylbutyl p-iodobenzyl carbonateBRN 1976216p-Iodobenzyl-4-methyl-2-pentyl carbonate(4-iodophenyl)methyl 4-methylpentan-2-yl carbonateCarbonic acid, 1,3-dimethylbutyl (4-iodophenyl)methyl esterDTXSID40975501
Database identifiers
- CAS
60075-70-9- PubChem CID
- 43199
- DTXSID
DTXSID40975501
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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