Basic information
- Standard SMILES
CCCO[C@@H](C)C(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC[C@@H](C)CC)cc2)cc1- InChIKey
KCRUTTDWTHXRBZ-ROUUACIJSA-N- Molecular formula
- C25H30O7
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.19915329
Names & identifiers
- Preferred name
- 4-[(S)-2-methylbutoxycarbonyl]phenyl 4-[(S)-2-propoxypropanoyloxy]benzoate
- IUPAC
- [(2S)-2-methylbutyl] 4-[4-[(2S)-2-propoxypropanoyl]oxybenzoyl]oxybenzoate
Names & synonyms
SCHEMBL9344892KCRUTTDWTHXRBZ-ROUUACIJSA-N4-[(S)-2-methylbutoxycarbonyl]phenyl 4-[(S)-2-propoxypropanoyloxy]benzoate
Database identifiers
- PubChem CID
- 14848787
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 589
Related reactions
1 records
Compound notes
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