Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1)OCC- InChIKey
RSXJRJUSFQPSGZ-KRWDZBQOSA-N- Molecular formula
- C21H32O6
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- (2S)-3-[4-(1-tert-butoxycarbonyl-1-methyl-ethoxy)-phenyl]-2-ethoxy-propionic acid ethyl ester
- IUPAC
- tert-butyl 2-[4-[(2S)-2,3-diethoxy-3-oxopropyl]phenoxy]-2-methylpropanoate
Names & synonyms
SCHEMBL5361328RSXJRJUSFQPSGZ-KRWDZBQOSA-N(2S)-3-[4-(1-tert-butoxycarbonyl-1-methyl-ethoxy)-phenyl]-2-ethoxy-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 58646647
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 472
Related reactions
2 records
Compound notes
Loading…