dimethyl (3S)-3-hydroxyoctanedioate
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Basic information
- Standard SMILES
COC(=O)CCCC[C@H](O)CC(=O)OC- InChIKey
AURDEIRAXXTASQ-QMMMGPOBSA-N- Molecular formula
- C10H18O5
- Average molar mass
- 218.25 g/mol
Names & identifiers
- Preferred name
- dimethyl (3S)-3-hydroxyoctanedioate
- IUPAC
- dimethyl (3S)-3-hydroxyoctanedioate
Names & synonyms
dimethyl (3S)-3-hydroxyoctanedioateSCHEMBL6654471AURDEIRAXXTASQ-QMMMGPOBSA-N
Database identifiers
- PubChem CID
- 9859249
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Related reactions
1 records
Compound notes
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