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Chemistry

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Also known as: 5306-85-4, Isosorbide dimethyl ether, (3r,3ar,6s,6ar)-3,6-dimethoxyhexahydrofuro[3,2-b]furan, 2,5-dimethylisosorbide, 1,4:3,6-dianhydro-2,5-di-o-methyl-d-glucitol, (3s,3ar,6r,6ar)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
Molecular Formula
C8H14O4
Molecular Weight
174.19  g/mol
InChI Key
MEJYDZQQVZJMPP-ULAWRXDQSA-N
FDA UNII
SA6A6V432S

Isosorbide Dimethyl Ether
1 2D Structure

Isosorbide Dimethyl Ether

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
2.1.2 InChI
InChI=1S/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
2.1.3 InChI Key
MEJYDZQQVZJMPP-ULAWRXDQSA-N
2.1.4 Canonical SMILES
COC1COC2C1OCC2OC
2.1.5 Isomeric SMILES
CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC
2.2 Other Identifiers
2.2.1 UNII
SA6A6V432S
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,5-dimethylisosorbide

2. 2,5-o-dimethylisosorbide

3. Arlasolve Dmi

2.3.2 Depositor-Supplied Synonyms

1. 5306-85-4

2. Isosorbide Dimethyl Ether

3. (3r,3ar,6s,6ar)-3,6-dimethoxyhexahydrofuro[3,2-b]furan

4. 2,5-dimethylisosorbide

5. 1,4:3,6-dianhydro-2,5-di-o-methyl-d-glucitol

6. (3s,3ar,6r,6ar)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

7. Sa6a6v432s

8. D-glucitol, 1,4:3,6-dianhydro-2,5-di-o-methyl-

9. Nsc-40727

10. Nsc-44695

11. (3r,3ar,6s,6ar)-3,6-dimethoxy-hexahydrofuro[3,2-b]furan

12. Dimethyl Isosorbide Ether

13. Unii-sa6a6v432s

14. Mfcd00064828

15. 2,5-di-o-methyl-1,4:3,6-dianhydro-d-glucitol

16. Einecs 226-159-8

17. Nsc 40727

18. Nsc 44695

19. Isosorbide, Dimethyl Ether

20. Sorbitol, 1,4:3,6-dianhydro-2,5-di-o-methyl-

21. Schembl301881

22. Glucitol, 1,4:3,6-dianhydro-2,5-di-o-methyl-, D-

23. Dimethyl Isosorbide [ii]

24. Isosorbide Dimethyl Ether, 98%

25. Dimethyl Isosorbide [inci]

26. Dtxsid201019399

27. Nsc40727

28. Nsc44695

29. Zinc1849546

30. Ac8407

31. Akos016010544

32. As-17682

33. Cs-0144267

34. I0390

35. D-glucitol, 1,4:3,6-dianhydro-2,5-di-o-methyl

36. Q5807233

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 174.19 g/mol
Molecular Formula C8H14O4
XLogP3-0.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass174.08920892 g/mol
Monoisotopic Mass174.08920892 g/mol
Topological Polar Surface Area36.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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27-Feb-2021
07-Nov-2022
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