Basic information
- Standard SMILES
Cc1cc(C)c(S(=O)(=O)OCCCNC(=O)OC(C)(C)C)c(C)c1- InChIKey
XQDJKHWVLDLBHJ-UHFFFAOYSA-N- Molecular formula
- C17H27NO5S
- Average molar mass
- 357.5 g/mol
Names & identifiers
- Preferred name
- 3-(tert-Butyloxycarbonylamino)propyl 2,4,6-trimethylbenzenesulfonate
- IUPAC
- 3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl 2,4,6-trimethylbenzenesulfonate
Names & synonyms
SCHEMBL1618027XQDJKHWVLDLBHJ-UHFFFAOYSA-N3-(tert-Butyloxycarbonylamino)propyl 2,4,6-trimethylbenzenesulfonate
Database identifiers
- PubChem CID
- 86628050
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
1 records
Compound notes
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