Basic information
- Standard SMILES
CCC[C@@H](C)[C@@H](C)C(=O)CC(=O)O- InChIKey
LKEGYNYDGPQEIB-HTQZYQBOSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- (4R,5R)-4,5-Dimethyl-3-oxo-octanoic acid
- IUPAC
- (4R,5R)-4,5-dimethyl-3-oxooctanoic acid
Names & synonyms
SCHEMBL5516454LKEGYNYDGPQEIB-HTQZYQBOSA-N(4R,5R)-4,5-Dimethyl-3-oxo-octanoic acid
Database identifiers
- PubChem CID
- 86760412
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Related reactions
1 records
Compound notes
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