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2D Structure
Also known as: 3779-29-1, Diethyl cyclobutane-1,1-dicarboxylate, 1,1-cyclobutanedicarboxylic acid, diethyl ester, Cyclobutane-1,1-dicarboxylic acid diethyl ester, 1,1-diethyl cyclobutane-1,1-dicarboxylate, S7bah6z7an
Molecular Formula
C10H16O4
Molecular Weight
200.23  g/mol
InChI Key
JPNJEJSZSMXWSV-UHFFFAOYSA-N
FDA UNII
S7BAH6Z7AN

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
diethyl cyclobutane-1,1-dicarboxylate
2.1.2 InChI
InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
2.1.3 InChI Key
JPNJEJSZSMXWSV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1(CCC1)C(=O)OCC
2.2 Other Identifiers
2.2.1 UNII
S7BAH6Z7AN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3779-29-1

2. Diethyl Cyclobutane-1,1-dicarboxylate

3. 1,1-cyclobutanedicarboxylic Acid, Diethyl Ester

4. Cyclobutane-1,1-dicarboxylic Acid Diethyl Ester

5. 1,1-diethyl Cyclobutane-1,1-dicarboxylate

6. S7bah6z7an

7. 1,1-cyclobutanedicarboxylic Acid Diethyl Ester

8. Nsc-9017

9. 1,1-cyclobutanedicarboxylic Acid, 1,1-diethyl Ester

10. Mfcd00019261

11. 1,1-dicarboethoxycyclobutane

12. Nsc 9017

13. Einecs 223-239-4

14. Diethyl-1,1-cyclobutanedicarboxylate

15. Ai3-05631

16. Unii-s7bah6z7an

17. Schembl713102

18. Diethyl Cyclobutanedicarboxylate

19. Dtxsid2063189

20. Zinc57573

21. Nsc9017

22. Hms1577c01

23. Act03328

24. Bbl100175

25. Stk328110

26. Akos000120487

27. Ab89710

28. Gs-3371

29. 2,2-diethylcyclobutane-1,1-dicarboxylate

30. Ac-19426

31. Sy036809

32. Db-016139

33. Diethyl 1,1-cyclobutanedicarboxylate, 95%

34. Am20070611

35. Cs-0017981

36. Ft-0606077

37. En300-20256

38. A823876

39. J-802188

40. W-106512

41. Q63409128

42. Diethyl Cyclobutane-1,1-dicarboxylate, >=98.0% (gc)

43. F0001-1084

44. 1,1-dicarboethoxycyclobutane/diethyl 1,1-cyclobutanedicarboxylate

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 200.23 g/mol
Molecular Formula C10H16O4
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass200.10485899 g/mol
Monoisotopic Mass200.10485899 g/mol
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1