Butane-1,4-diyl bis(2,3-dimethylbutane-1-sulfonate)
Basic information
- CAS
5458-44-6- Standard SMILES
CC(C)C(C)CS(=O)(=O)OCCCCOS(=O)(=O)CC(C)C(C)C- InChIKey
BSIWORPCWLQVBJ-UHFFFAOYSA-N- Molecular formula
- C16H34O6S2
- Average molar mass
- 386.6 g/mol
- Monoisotopic mass
- 386.17968115
Names & identifiers
- Preferred name
- Butane-1,4-diyl bis(2,3-dimethylbutane-1-sulfonate)
- IUPAC
- 4-(2,3-dimethylbutylsulfonyloxy)butyl 2,3-dimethylbutane-1-sulfonate
Names & synonyms
5458-44-6butane-1,4-diyl bis(2,3-dimethylbutane-1-sulfonate)NSC23526DTXSID20281930NSC-23526
Database identifiers
- CAS
5458-44-6- PubChem CID
- 229688
- DTXSID
DTXSID20281930
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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