chempirical

(R,R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane

C10H20O6S2CAS 186204-35-3300.38 g/mol

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Sulfonate ester

Properties

Molecular formula
C10H20O6S2
Molar mass
300.38 g/mol
Exact mass
300.0701 Da
logP
0.75Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
186204-35-3
SMILES
CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C
InChIKey
JIHKCHWEXXZTOU-UWVGGRQHSA-N
InChI
InChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1

Weigh it out

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Names and synonyms

1 names
  • 1,2-Bis(methanesulfonyloxymethyl)cyclohexane, (1R,2R)-

Work with (R,R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Busulfan55-98-150 % similar Butyl methanesulfonate1912-32-948 % similar Ethyl methanesulfonate62-50-044 % similar 2,2,2-Trifluoroethyl methanesulfonate25236-64-039 % similar Tetrahydro-2H-pyran-4-yl methanesulfonate134419-59-338 % similar Methanesulfonic anhydride7143-01-336 % similar Isopropyl methanesulfonate926-06-734 % similar Methyl methanesulfonate66-27-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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