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2D Structure
Also known as: 94158-44-8, (2-methoxyethoxy)acetaldehyde dimethyl acetal, 2-(2-methoxyethoxy)acetaldehyde dimethylacetal, I6ygx96bzo, Ethane, 1,1-dimethoxy-2-(2-methoxyethoxy)-, Mfcd00671583
Molecular Formula
C7H16O4
Molecular Weight
164.20  g/mol
InChI Key
JPOUJDLGAPEXAN-UHFFFAOYSA-N
FDA UNII
I6YGX96BZO

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,1-dimethoxy-2-(2-methoxyethoxy)ethane
2.1.2 InChI
InChI=1S/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3
2.1.3 InChI Key
JPOUJDLGAPEXAN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COCCOCC(OC)OC
2.2 Other Identifiers
2.2.1 UNII
I6YGX96BZO
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 94158-44-8

2. (2-methoxyethoxy)acetaldehyde Dimethyl Acetal

3. 2-(2-methoxyethoxy)acetaldehyde Dimethylacetal

4. I6ygx96bzo

5. Ethane, 1,1-dimethoxy-2-(2-methoxyethoxy)-

6. Mfcd00671583

7. Einecs 303-115-7

8. Unii-i6ygx96bzo

9. 1-(2,2-dimethoxyethoxy)-2-methoxyethane

10. (2-methoxyethoxy)acetaldehydedimethylacetal

11. Dsstox_cid_31645

12. Dsstox_rid_97529

13. Dsstox_gsid_57856

14. Schembl1566982

15. Chembl3184802

16. Dtxsid3057856

17. Zinc2000084

18. Tox21_113751

19. Akos006344268

20. Ds-0922

21. Ncgc00253621-01

22. Sy030558

23. Cas-94158-44-8

24. Db-027299

25. Cs-0031352

26. Ft-0612837

27. O10333

28. 158m448

29. A844846

30. Sr-01000945261

31. J-503740

32. Sr-01000945261-1

33. Q27280516

34. 2-(2-methoxyethoxy)acetaldehyde Dimethyl Acetal

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 164.20 g/mol
Molecular Formula C7H16O4
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass164.10485899 g/mol
Monoisotopic Mass164.10485899 g/mol
Topological Polar Surface Area36.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity72.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1