Basic information
- Standard SMILES
COC(=O)C(C)CCO- InChIKey
XZFJHWXONLIYFN-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
Names & identifiers
- Preferred name
- Methyl 2-methyl-4-hydroxybutyrate
- IUPAC
- methyl 4-hydroxy-2-methylbutanoate
Names & synonyms
SCHEMBL6744296SCHEMBL6744299methyl 2-methyl-4-hydroxybutyrateXZFJHWXONLIYFN-UHFFFAOYSA-Nmethyl 4-hydroxy-2-methylbutanoateDB-14330273372-15-3
Database identifiers
- PubChem CID
- 12953943
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.3
Related reactions
3 records
Linked notes
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