Basic information
- Standard SMILES
CC(=O)C(Cl)C(=O)C(C)(C)C- InChIKey
ZDIVJEIZOFVBOT-UHFFFAOYSA-N- Molecular formula
- C8H13ClO2
- Average molar mass
- 176.64 g/mol
- Monoisotopic mass
- 176.0604073
Names & identifiers
- Preferred name
- 3-Chloro-5,5-dimethyl-2,4-hexanedione
- IUPAC
- 3-chloro-5,5-dimethylhexane-2,4-dione
Names & synonyms
SCHEMBL509397ZDIVJEIZOFVBOT-UHFFFAOYSA-N3-Chloro-5,5-dimethyl-2,4-hexanedione
Database identifiers
- PubChem CID
- 12425316
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Related reactions
4 records
Compound notes
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