CAS 186204-35-3

Chemistry, 5 End Use API, 27 Related Intermediates

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1 Intermediates

1 Intermediates

Also known as: 186204-35-3, (r,r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane, [(1r,2r)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate, (1r,2r)-1,2-bis[[(methylsulfonyl)oxy]methyl]cyclohexane, 139506-07-3, (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane

Molecular Formula

C₁₀H₂₀O₆S₂

Molecular Weight

300.4 g/mol

InChI Key

JIHKCHWEXXZTOU-UWVGGRQHSA-N

1 2D Structure

CAS 186204-35-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1R,2R)-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/t9-,10-/m0/s1

2.1.3 InChI Key

JIHKCHWEXXZTOU-UWVGGRQHSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 186204-35-3

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

3. [(1r,2r)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl Methanesulfonate

4. (1r,2r)-1,2-bis[[(methylsulfonyl)oxy]methyl]cyclohexane

5. 139506-07-3

6. (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane

7. 1,2-cyclohexanedimethanol, 1,2-dimethanesulfonate, (1r,2r)-rel-

8. Mfcd12923309

9. Nsc76458

10. Schembl924034

11. (1r,2r)-1,2-cyclohexanedimethanol 1,2-dimethanesulfonate

12. Dtxsid70291564

13. Amy32497

14. Zinc1709848

15. Nsc-76458

16. Akos015999600

17. Ac-24376

18. Ds-16691

19. Cs-0031399

20. Trans-1,2-bis(methanesulfonyloxymethyl)cyclohexane

21. A1-00283

22. J-502303

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

24. (r,r)-trans-1,2-bis(methanesulfonyloxymethyl)cyclohexane

25. [(1r,2r)-cyclohexane-1,2-diyl]bis(methylene) Dimethanesulfonate

26. [(1r,2r)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl Methanesulfonate

27. Bis(methanesulfonic Acid)[(1r,2r)-1,2-cyclohexanediyl]bismethylene Ester

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	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1