2-Hydroxy-3-methyl-2-(propan-2-yl)butanoic acid
Basic information
- CAS
5438-17-5- Standard SMILES
CC(C)C(O)(C(=O)O)C(C)C- InChIKey
HCNWVNHPYIMHIA-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 2-Hydroxy-3-methyl-2-(propan-2-yl)butanoic acid
- IUPAC
- 2-hydroxy-3-methyl-2-propan-2-ylbutanoic acid
Names & synonyms
5438-17-52-hydroxy-3-methyl-2-propan-2-yl-butanoic acid2-hydroxy-3-methyl-2-(propan-2-yl)butanoic acidNSC16630SCHEMBL5711892DTXSID50280375NSC-16630AKOS017532318DS-013395
Database identifiers
- CAS
5438-17-5- PubChem CID
- 226293
- DTXSID
DTXSID50280375
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
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Compound notes
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