Basic information
- CAS
5458-43-5- Standard SMILES
CC(C)CS(=O)(=O)OCCCCOS(=O)(=O)CC(C)C- InChIKey
DUMVVUFNUWWIPP-UHFFFAOYSA-N- Molecular formula
- C12H26O6S2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.11708089
Names & identifiers
- Preferred name
- Butane-1,4-diyl bis(2-methylpropane-1-sulfonate)
- IUPAC
- 4-(2-methylpropylsulfonyloxy)butyl 2-methylpropane-1-sulfonate
Names & synonyms
5458-43-5butane-1,4-diyl bis(2-methylpropane-1-sulfonate)NSC23522DTXSID20969827NSC-23522
Database identifiers
- CAS
5458-43-5- PubChem CID
- 229684
- DTXSID
DTXSID20969827
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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