Basic information
- Standard SMILES
CC(C)C[C@@H](C(=O)O)[C@@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C- InChIKey
WNMZLOWDBBFFAU-PQGVJJGYSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
Names & identifiers
- Preferred name
- (E)-2(R)-[1(R)-(tert-butoxycarbonyl)-4-phenyl-3-butenyl]-4-methylvaleric acid
- IUPAC
- (E,2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)-6-phenylhex-5-enoic acid
Names & synonyms
SCHEMBL6224872WNMZLOWDBBFFAU-PQGVJJGYSA-N(E)-2(R)-[1(R)-(tert-butoxycarbonyl)-4-phenyl-3-butenyl]-4-methylvaleric acid
Database identifiers
- PubChem CID
- 15380768
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Related reactions
1 records
Compound notes
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