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Also known as: 917-92-0, 3,3-dimethylbut-1-yne, Tert-butylacetylene, 3,3-dimethylbutyne, T-butylacetylene, 1-butyne, 3,3-dimethyl-
Molecular Formula
C6H10
Molecular Weight
82.14  g/mol
InChI Key
PPWNCLVNXGCGAF-UHFFFAOYSA-N
FDA UNII
PX4NL23U52

917-92-0
1 2D Structure

917-92-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,3-dimethylbut-1-yne
2.1.2 InChI
InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3
2.1.3 InChI Key
PPWNCLVNXGCGAF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)C#C
2.2 Other Identifiers
2.2.1 UNII
PX4NL23U52
2.3 Synonyms
2.3.1 MeSH Synonyms

1. T-butyl Acetylene

2.3.2 Depositor-Supplied Synonyms

1. 917-92-0

2. 3,3-dimethylbut-1-yne

3. Tert-butylacetylene

4. 3,3-dimethylbutyne

5. T-butylacetylene

6. 1-butyne, 3,3-dimethyl-

7. T-butyl Acetylene

8. 3,3,3-trimethylpropyne

9. Mfcd00008852

10. Px4nl23u52

11. Chembl1908221

12. Einecs 213-035-3

13. Ec 213-035-3

14. 51730-68-8

15. 1-butyne,3,3-dimethyl-

16. 3,3-dimethylbutyne-1

17. Tertbutylacetylene

18. Tert-butylacetyiene

19. Tert-butylacetylide

20. Tert-butyl Acetylene

21. 33-dimethyl-1-butyne

22. 3.3-dimethyl-1-butyne

23. 3,3-dimethyl-but-l-yne

24. 2,2-dimethyl-but-3-yne

25. 3,3-dimethyl- 1-butyne

26. 3,3-dimethyl-but-1-yne

27. 3, 3-dimethyl-but-1-yne

28. Unii-px4nl23u52

29. (ch3)3cc.$.ch

30. Dtxsid70238671

31. 3,3-dimethyl-1-butyne, 98%

32. Bdbm50027798

33. Akos015841094

34. B1114

35. Ft-0601139

36. En300-83192

37. F15435

38. A844068

39. J-511081

40. Inchi=1/c6h10/c1-5-6(2,3)4/h1h,2-4h

41. F0001-2465

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 82.14 g/mol
Molecular Formula C6H10
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area0
Heavy Atom Count6
Formal Charge0
Complexity73.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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