Basic information
- Standard SMILES
CC(C)(C)C(=O)OCOC(=O)[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)Cl- InChIKey
JVLZGDSQKJSQDJ-SFTDATJTSA-N- Molecular formula
- C25H29ClO5
- Average molar mass
- 444.9 g/mol
Names & identifiers
- Preferred name
- 4-(Pivaloyloxymethoxycarbonyl)-2,4-(R*,R*)-dibenzylbutyryl chloride
- IUPAC
- 2,2-dimethylpropanoyloxymethyl (2R,4R)-2,4-dibenzyl-5-chloro-5-oxopentanoate
Names & synonyms
SCHEMBL7435519JVLZGDSQKJSQDJ-SFTDATJTSA-N4-(Pivaloyloxymethoxycarbonyl)-2,4-(R*,R*)-dibenzylbutyryl chloride4-(Pivaloyloxymethoxycarbonyl)-2,4-(R*,R*) -dibenzylbutyryl chloride
Database identifiers
- PubChem CID
- 14997136
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 585
Related reactions
4 records
Compound notes
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