Basic information
- Standard SMILES
CC(C)CC(C(=O)OCc1ccccc1)C(C(=O)OCc1ccccc1)C(=O)OC(C)(C)C- InChIKey
DDBVMIMQIZGFBZ-UHFFFAOYSA-N- Molecular formula
- C27H34O6
- Average molar mass
- 454.6 g/mol
Names & identifiers
- Preferred name
- 1-O,2-O-dibenzyl 1-O-tert-butyl 4-methylpentane-1,1,2-tricarboxylate
- IUPAC
- 1-O,2-O-dibenzyl 1-O-tert-butyl 4-methylpentane-1,1,2-tricarboxylate
Database identifiers
- PubChem CID
- 19083211
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 623
Related reactions
4 records
Compound notes
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