6-[4-[4-(6-Methylsulfonyloxyhexoxy)butoxy]butoxy]hexyl methanesulfonate
Basic information
- CAS
55333-95-4- Standard SMILES
CS(=O)(=O)OCCCCCCOCCCCOCCCCOCCCCCCOS(C)(=O)=O- InChIKey
DBJCGSHCVIJMKF-UHFFFAOYSA-N- Molecular formula
- C22H46O9S2
- Average molar mass
- 518.7 g/mol
- Monoisotopic mass
- 518.25832539
Names & identifiers
- Preferred name
- 6-[4-[4-(6-Methylsulfonyloxyhexoxy)butoxy]butoxy]hexyl methanesulfonate
- IUPAC
- 6-[4-[4-(6-methylsulfonyloxyhexoxy)butoxy]butoxy]hexyl methanesulfonate
Names & synonyms
55333-95-4NSC171623DTXSID00305764NSC-171623({Oxybis[(butane-4,1-diyl)]oxy}hexane-6,1-diyl) dimethanesulfonate{[Oxybis(butane-4,1-diyl)oxy]hexane-6,1-diyl} dimethanesulfonate
Database identifiers
- CAS
55333-95-4- PubChem CID
- 299157
- DTXSID
DTXSID00305764
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 26
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 557
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Related reactions
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Compound notes
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