CAS 5272-33-3

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Also known as: 5272-33-3, 2-methyl-4-trimethylsilyl-3-butyn-2-ol, 2-methyl-4-trimethylsilylbut-3-yn-2-ol, 2-methyl-4-(trimethylsilyl)-3-butyn-2-ol, 3-butyn-2-ol,2-methyl-4-(trimethylsilyl)-, 3-hydroxy-3-methyl-1-trimethylsilyl-1-butyne

Molecular Formula

C₈H₁₆OSi

Molecular Weight

156.30 g/mol

InChI Key

UXOWFNWZWBCLDN-UHFFFAOYSA-N

1 2D Structure

CAS 5272-33-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-4-trimethylsilylbut-3-yn-2-ol

2.1.2 InChI

InChI=1S/C8H16OSi/c1-8(2,9)6-7-10(3,4)5/h9H,1-5H3

2.1.3 InChI Key

UXOWFNWZWBCLDN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C#C[Si](C)(C)C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5272-33-3

2. 2-methyl-4-trimethylsilyl-3-butyn-2-ol

3. 2-methyl-4-trimethylsilylbut-3-yn-2-ol

4. 2-methyl-4-(trimethylsilyl)-3-butyn-2-ol

5. 3-butyn-2-ol,2-methyl-4-(trimethylsilyl)-

6. 3-hydroxy-3-methyl-1-trimethylsilyl-1-butyne

7. Mfcd00160794

8. Nsc331768

9. 3-butyn-2-ol, 2-methyl-4-(trimethylsilyl)-

10. 2-methyl-4-trimethylsilyl-3-butyn-2-ol( /-)

11. Schembl130331

12. Amy3325

13. Dtxsid90318469

14. Uxowfnwzwbcldn-uhfffaoysa-n

15. Cs-m2009

16. Akos006346468

17. Ds-9791

18. Nsc-331768

19. Sy064444

20. 2-methyl-4-trimethylsilyl-but-3-yn-2-ol

21. Ft-0691780

22. A829226

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₆OSi
Molecular Weight	156.30 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	20.2
Heavy Atom Count	10
Formal Charge	0
Complexity	174
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