Basic information
- Standard SMILES
CC(C)(C)OC(=O)COc1ccc(CCOS(C)(=O)=O)cc1- InChIKey
YXLKMPNFHNWYQI-UHFFFAOYSA-N- Molecular formula
- C15H22O6S
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (4-{2-[(methylsulfonyl)oxy]ethyl}phenoxy)acetate
- IUPAC
- tert-butyl 2-[4-(2-methylsulfonyloxyethyl)phenoxy]acetate
Names & synonyms
SCHEMBL31404414YXLKMPNFHNWYQI-UHFFFAOYSA-NTert-butyl (4-{2-[(methylsulfonyl)oxy]ethyl}phenoxy)acetate
Database identifiers
- PubChem CID
- 86600965
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
10 records
Compound notes
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