4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate
Basic information
- CAS
5415-89-4- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OS(=O)(=O)c2ccccc2)cc1- InChIKey
SPUADMDIHZGJQX-UHFFFAOYSA-N- Molecular formula
- C20H26O3S
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.16026586
Names & identifiers
- Preferred name
- 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate
- IUPAC
- [4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate
Names & synonyms
5415-89-44-(2,4,4-trimethylpentan-2-yl)phenyl benzenesulfonateNSC11313DTXSID70279120NSC-11313
Database identifiers
- CAS
5415-89-4- PubChem CID
- 223574
- DTXSID
DTXSID70279120
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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