Isobutylglyoxal
Basic information
- CAS
16979-05-8- Standard SMILES
CC(C)CC(=O)C=O- InChIKey
OPIPDUFGXKXYLW-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Names & identifiers
- Preferred name
- Isobutylglyoxal
- IUPAC
- 4-methyl-2-oxopentanal
Names & synonyms
Isobutylglyoxal4-methyl-2-oxopentanal16979-05-8Pentanal, 4-methyl-2-oxo-SCHEMBL1564422SCHEMBL2408997DTXSID70168747DA-39138
Database identifiers
- CAS
16979-05-8- PubChem CID
- 167604
- DTXSID
DTXSID70168747- Nikkaji
- J3.280.967G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 94.7
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Compound notes
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