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CHEMISTRY

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Chemistry

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Also known as: 66347-68-0, [2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate, Mfcd12923309, (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane, Schembl2548198, Dtxsid20298043

Molecular Formula

C₁₀H₂₀O₆S₂

Molecular Weight

300.4 g/mol

InChI Key

JIHKCHWEXXZTOU-UHFFFAOYSA-N

CAS 66347-68-0

1 2D Structure

CAS 66347-68-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate

2.1.2 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

2.1.3 InChI Key

JIHKCHWEXXZTOU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)OCC1CCCCC1COS(=O)(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 66347-68-0

2. [2-(methylsulfonyloxymethyl)cyclohexyl]methyl Methanesulfonate

3. Mfcd12923309

4. (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane

5. Schembl2548198

6. Dtxsid20298043

7. Nsc120389

8. Nsc170782

9. Akos030613698

10. Nsc-120389

11. Nsc-170782

12. Sb44578

13. Sb49713

14. Ls-13897

15. Sy033152

16. Ft-0665348

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₂₀O₆S₂
Molecular Weight	300.4 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	300.07013070 g/mol
Monoisotopic Mass	300.07013070 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	398
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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