2-Pentanone, 3-bromo-4-hydroxy-4-methyl-
Basic information
- CAS
89238-06-2- Standard SMILES
CC(=O)C(Br)C(C)(C)O- InChIKey
FXYYRXMIQZRMEZ-UHFFFAOYSA-N- Molecular formula
- C6H11BrO2
- Average molar mass
- 195.05 g/mol
- Monoisotopic mass
- 193.99424
Names & identifiers
- Preferred name
- 2-Pentanone, 3-bromo-4-hydroxy-4-methyl-
- IUPAC
- 3-bromo-4-hydroxy-4-methylpentan-2-one
Names & synonyms
89238-06-22-Pentanone, 3-bromo-4-hydroxy-4-methyl-DTXSID90440330RefChem:264988DTXCID503911523-BROMO-4-HYDROXY-4-METHYLPENTAN-2-ONE
Database identifiers
- CAS
89238-06-2- PubChem CID
- 10465239
- DTXSID
DTXSID90440330
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
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Compound notes
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