Basic information
- CAS
56817-85-7- Standard SMILES
Cc1ccc(S(=O)(=O)C(C)(C)C(=O)C(C)C)cc1- InChIKey
MOLRNXJUYCXJTN-UHFFFAOYSA-N- Molecular formula
- C14H20O3S
- Average molar mass
- 268.37 g/mol
- Monoisotopic mass
- 268.11331567
Names & identifiers
- Preferred name
- 2,4-Dimethyl-2-(4-methylbenzene-1-sulfonyl)pentan-3-one
- IUPAC
- 2,4-dimethyl-2-(4-methylphenyl)sulfonylpentan-3-one
Names & synonyms
56817-85-7SCHEMBL636042,4-Dimethyl-2-(4-methylbenzene-1-sulfonyl)pentan-3-oneDTXSID30619169MOLRNXJUYCXJTN-UHFFFAOYSA-N2,4-dimethyl-2-(p-toluenesulfonyl)pentan-3-one
Database identifiers
- CAS
56817-85-7- PubChem CID
- 21872575
- DTXSID
DTXSID30619169
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 393
Related reactions
1 records
Compound notes
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