4-Hydroxy-3-isobutyl-but-3-en-2-one
Basic information
- Standard SMILES
CC(=O)C(=CO)CC(C)C- InChIKey
OAGBQVWTJDKWMC-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 4-Hydroxy-3-isobutyl-but-3-en-2-one
- IUPAC
- 3-(hydroxymethylidene)-5-methylhexan-2-one
Names & synonyms
SCHEMBL2293077OAGBQVWTJDKWMC-UHFFFAOYSA-N4-hydroxy-3-isobutyl-but-3-en-2-one
Database identifiers
- PubChem CID
- 86645765
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Related reactions
3 records
Compound notes
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