Basic information
- Standard SMILES
CCOC(=O)C(C)(CCC=O)S(C)(=O)=O- InChIKey
FUHCKJVAXOPAPF-UHFFFAOYSA-N- Molecular formula
- C9H16O5S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.07184478
Names & identifiers
- Preferred name
- Ethyl 2-methyl-2-(methylsulfonyl)-5-oxopentanoate
- IUPAC
- ethyl 2-methyl-2-methylsulfonyl-5-oxopentanoate
Names & synonyms
Ethyl 2-methyl-2-(methylsulfonyl)-5-oxopentanoateSCHEMBL12985153FUHCKJVAXOPAPF-UHFFFAOYSA-N1402353-79-0DB-124783
Database identifiers
- PubChem CID
- 77985697
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
Related reactions
2 records
Compound notes
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