Basic information
- CAS
33895-88-4- Standard SMILES
CC(=O)CC(C)(C)S(=O)(=O)c1ccc(C)cc1- InChIKey
VPQHNQXZPFLQMI-UHFFFAOYSA-N- Molecular formula
- C13H18O3S
- Average molar mass
- 254.35 g/mol
- Monoisotopic mass
- 254.09766561
Names & identifiers
- Preferred name
- 4-Methyl-4-[(4-methylphenyl)sulfonyl]pentan-2-one
- IUPAC
- 4-methyl-4-(4-methylphenyl)sulfonylpentan-2-one
Names & synonyms
33895-88-44-methyl-4-[(4-methylphenyl)sulfonyl]pentan-2-oneNSC126451DTXSID10298850NSC-1264514-Methyl-4-(4-methylbenzene-1-sulfonyl)pentan-2-one
Database identifiers
- CAS
33895-88-4- PubChem CID
- 277553
- DTXSID
DTXSID10298850
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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