CAS 924-50-5

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Also known as: 924-50-5, Methyl 3,3-dimethylacrylate, Methyl 3-methylbut-2-enoate, Methyl-3,3-dimethylacrylate, 2-butenoic acid, 3-methyl-, methyl ester, 3,3-dimethylacrylic acid methyl ester

Molecular Formula

C₆H₁₀O₂

Molecular Weight

114.14 g/mol

InChI Key

FZIBCCGGICGWBP-UHFFFAOYSA-N

methyl 3-methylbut-2-enoate is a natural product found in Vaccinium angustifolium with data available.

1 2D Structure

CAS 924-50-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 3-methylbut-2-enoate

2.1.2 InChI

InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3

2.1.3 InChI Key

FZIBCCGGICGWBP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=CC(=O)OC)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 924-50-5

2. Methyl 3,3-dimethylacrylate

3. Methyl 3-methylbut-2-enoate

4. Methyl-3,3-dimethylacrylate

5. 2-butenoic Acid, 3-methyl-, Methyl Ester

6. 3,3-dimethylacrylic Acid Methyl Ester

7. 3-methyl-but-2-enoic Acid Methyl Ester

8. Methyl Senecioate

9. Methyl 3-methylcrotonate

10. Crotonic Acid, 3-methyl-, Methyl Ester

11. Methyl-3,3-dimethyl Acrylate

12. Methylsenecioate

13. Einecs 213-107-4

14. Methyl 3,3-dimethacrylate

15. 3,3-dimethyl Acrylic Acid Methyl Ester

16. Ec 213-107-4

17. Methyl,3,3-dimethylacrylate

18. Ghl.pd_mitscher_leg0.193

19. Methyl .beta.-methylcrotonate

20. Methyl -3,3-dimethylacrylate

21. Schembl273328

22. Chembl299017

23. Dtxsid1061283

24. Methyl 3-methylbut-2-enoate #

25. 3-methylcrotonic Acid Methyl Ester

26. Zinc388580

27. 3,3-dimethyl-acrylic Methyl Ester

28. Bcp10333

29. Methyl 3-methyl-2-butenoate, 97%

30. Mfcd00043940

31. 2-butenoicacid,3-methyl-,methylester

32. 3-methylbut-2-enoic Acid Methyl Ester

33. Akos015851424

34. Cs-w013641

35. 3-methyl-2-butenoic Acid, Methyl Ester

36. As-14299

37. 4-(4-methylphenoxy)piperidinehydrochloride

38. Db-057304

39. Ft-0628838

40. M2052

41. En300-73098

42. F11280

43. Q-201373

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₂
Molecular Weight	114.14 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	114.068079557 g/mol
Monoisotopic Mass	114.068079557 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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