Basic information
- CAS
7470-90-8- Standard SMILES
CCCCS(=O)(=O)OCC(C)(C)COS(=O)(=O)CCCC- InChIKey
HFEMKBFYNJIURH-UHFFFAOYSA-N- Molecular formula
- C13H28O6S2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.13273096
Names & identifiers
- Preferred name
- 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate
- IUPAC
- (3-butylsulfonyloxy-2,2-dimethylpropyl) butane-1-sulfonate
Names & synonyms
7470-90-8NSC4024672,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonateDTXSID00322956NSC-402467
Database identifiers
- CAS
7470-90-8- PubChem CID
- 345129
- DTXSID
DTXSID00322956
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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