1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate
Basic information
- CAS
4239-25-2- Standard SMILES
CC(C)(CCOS(C)(=O)=O)COS(C)(=O)=O- InChIKey
FYDHEWUHCUQWHP-UHFFFAOYSA-N- Molecular formula
- C8H18O6S2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.05448064
Names & identifiers
- Preferred name
- 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate
- IUPAC
- (3,3-dimethyl-4-methylsulfonyloxybutyl) methanesulfonate
Names & synonyms
4239-25-24-(methanesulfonyloxy)-2,2-dimethylbutyl methanesulfonate1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonateNSC53925DTXSID00962452NSC 53925NSC-539252,2-Dimethylbutane-1,4-diyl dimethanesulfonateEN300-19464091
Database identifiers
- CAS
4239-25-2- PubChem CID
- 96119
- DTXSID
DTXSID00962452
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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