Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)OC(=O)[C@@H](C)[C@@H](C)O- InChIKey
NTTQRNNXORBARJ-NKWVEPMBSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- isopropyl (2S, 3R)-2-methyl-3-hydroxybutanoate
- IUPAC
- propan-2-yl (2S,3R)-3-hydroxy-2-methylbutanoate
Names & synonyms
NTTQRNNXORBARJ-NKWVEPMBSA-Nisopropyl (2S, 3R)-2-methyl-3-hydroxybutanoate
Database identifiers
- PubChem CID
- 56973779
- Nikkaji
- J3.091.237C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Related reactions
3 records
Compound notes
Loading…