Basic information
- CAS
4248-77-5- Standard SMILES
CS(=O)(=O)OCCCCCCCCCOS(C)(=O)=O- InChIKey
NIYYZZQGQRDTGO-UHFFFAOYSA-N- Molecular formula
- C11H24O6S2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.10143049
Names & identifiers
- Preferred name
- 1,9-Nonanediol, dimethanesulfonate
- IUPAC
- 9-methylsulfonyloxynonyl methanesulfonate
- English name
- Bis(methanesulfonic acid)nonane-1,9-diyl ester
- Molecular formula
- C11H24O6S2
- Molecular weight
- 316.43
Names & synonyms
Nonasulphan1,9-Nonanediol, dimethanesulfonateNonasulfan1,9-DimethanesulfonyloxynonaneNonane-1,9-dimethanesulfonate4248-77-51,9-Di(methanesulfonoxy) nonaneNonamethylene dimethanesulfonateCB 2067SK 7505NSC 3052Methanesulfonic acid, nonamethylene ester
Show more names
1,9-Bis(methylsulfonyloxy)nonane1,9-Nonanediol, 1,9-dimethanesulfonateBis(methanesulfonic acid)nonamethylene esterDi(methanesulfonic acid)1,9-nonanediyl esterBis(methanesulfonic acid)nonane-1,9-diyl ester
1,9-NONANEDIOL DIMETHANESULFONATENSC-3052Methanesulfonic acid nonamethylene ester9-methylsulfonyloxynonyl methanesulfonateNonane dimethanesulphonateBRN 1884323AI3-263979KEW3AE5ML
Database identifiers
- CAS
4248-77-5- PubChem CID
- 20244
- DTXSID
DTXSID40195267- UNII
- 9KEW3AE5ML
- Nikkaji
- J59.352D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 56 · 56-57 °C
- Boiling point
- 485.7 · 485.7±18.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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