1-Hydroxy-5-methylhexan-2-one
Basic information
- CAS
68113-56-4- Standard SMILES
CC(C)CCC(=O)CO- InChIKey
BPMXOPZUILWIAA-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 1-Hydroxy-5-methylhexan-2-one
- IUPAC
- 1-hydroxy-5-methylhexan-2-one
Names & synonyms
1-HYDROXY-5-METHYLHEXAN-2-ONE68113-56-4SCHEMBL2527421SCHEMBL2527424DTXSID1013033492-Hexanone, 1-hydroxy-5-methyl-EN300-376260
Database identifiers
- CAS
68113-56-4- PubChem CID
- 13664902
- DTXSID
DTXSID101303349- Nikkaji
- J3.503.542G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 86.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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