(2R,3R)-2-butyl-3-hydroxyoctanoic acid t-butyl ester
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Basic information
- Standard SMILES
CCCCC[C@@H](O)[C@@H](CCCC)C(=O)OC(C)(C)C- InChIKey
AIYLKBQOVQPQDK-ZIAGYGMSSA-N- Molecular formula
- C16H32O3
- Average molar mass
- 272.42 g/mol
Names & identifiers
- Preferred name
- (2R,3R)-2-butyl-3-hydroxyoctanoic acid t-butyl ester
- IUPAC
- tert-butyl (2R,3R)-2-butyl-3-hydroxyoctanoate
Names & synonyms
SCHEMBL2089306AIYLKBQOVQPQDK-ZIAGYGMSSA-N(2R,3R)-2-butyl-3-hydroxyoctanoic acid t-butyl ester
Database identifiers
- PubChem CID
- 86645802
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 243
Related reactions
2 records
Compound notes
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