Methyl 4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]butanoate
Basic information
- CAS
1096303-32-0- Standard SMILES
COC(=O)CCCS(=O)(=O)c1ccc(C(C)(C)C)cc1- InChIKey
SOYGVTZSFGWZMC-UHFFFAOYSA-N- Molecular formula
- C15H22O4S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.12388035
Names & identifiers
- Preferred name
- Methyl 4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]butanoate
- IUPAC
- methyl 4-(4-tert-butylphenyl)sulfonylbutanoate
Names & synonyms
Methyl 4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]butanoateDTXSID5011967601096303-32-0Methyl 4-(4-tert-butylbenzene-1-sulfonyl)butanoate
Database identifiers
- CAS
1096303-32-0- PubChem CID
- 43378397
- DTXSID
DTXSID501196760
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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