Basic information
- Standard SMILES
CCOC(=O)[C@H](C)[C@H](C)O- InChIKey
BZFWGBFTIQSEBN-RITPCOANSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
Overview
Ethyl-(2R)-methyl-(3S)-hydroxybutanoate is a 3-hydroxy carboxylic acid.
Names & identifiers
- Preferred name
- ethyl-(2R)-methyl-(3S)-hydroxybutanoate
- IUPAC
- ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
Names & synonyms
ethyl (2R,3S)-3-hydroxy-2-methylbutanoateethyl-(2R)-methyl-(3S)-hydroxybutanoateRefChem:1085120SCHEMBL31738545CHEBI:176858ethyl (2R,3S)-2-methyl-3-hydroxybutyrateEthyl (2R, 3S)-3-hydroxy-2-methylbutyratebutanoic acid, 3-hydroxy-2-methyl-, ethyl ester, (2R,3S)-InChI=1/C7H14O3/c1-4-10-7(9)5(2)6(3)8/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s
Database identifiers
- PubChem CID
- 642623
- ChEBI
CHEBI:176858- Nikkaji
- J254.705H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Related reactions
2 records
Compound notes
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