Bicyclo[2.2.2]oct-1-ylmethyl 4-methylbenzene-1-sulfonate
Basic information
- CAS
2346-03-4- Standard SMILES
Cc1ccc(S(=O)(=O)OCC23CCC(CC2)CC3)cc1- InChIKey
JLNJPLJDELGGKP-UHFFFAOYSA-N- Molecular formula
- C16H22O3S
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.12896573
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]oct-1-ylmethyl 4-methylbenzene-1-sulfonate
- IUPAC
- 1-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonate
Names & synonyms
bicyclo[2.2.2]oct-1-ylmethyl 4-methylbenzene-1-sulfonate2346-03-41-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonateNSC131609Maybridge1_005504DivK1c_001792SCHEMBL7476404HMS557C04DTXSID60299610JLNJPLJDELGGKP-UHFFFAOYSA-NNSC-131609CDS1_000752
Show more names
Bicyclo[2,2,2]oct-1-ylmethyl para-toluenesulfonate(Bicyclo[2.2.2]octan-1-yl)methyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
2346-03-4- PubChem CID
- 280185
- DTXSID
DTXSID60299610
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
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Related reactions
2 records
Compound notes
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