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CAS 16474-43-4
PharmaCompass
  • Chemistry
CAS 16474-43-4
Also known as: Tert-butyl trimethylacetate, 16474-43-4, Tert-butyl 2,2-dimethylpropanoate, Vxhfnalhlrwiiu-uhfffaoysa-n, Propanoic acid, 2,2-dimethyl, 1,1-dimethylethyl ester, Ac1las0k
Molecular Formula
C9H18O2
Molecular Weight
158.241  g/mol
InChI Key
VXHFNALHLRWIIU-UHFFFAOYSA-N

1 2D Structure

CAS 16474-43-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 2,2-dimethylpropanoate
2.1.2 InChI
InChI=1S/C9H18O2/c1-8(2,3)7(10)11-9(4,5)6/h1-6H3
2.1.3 InChI Key
VXHFNALHLRWIIU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)C(=O)OC(C)(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Tert-butyl Trimethylacetate

2. 16474-43-4

3. Tert-butyl 2,2-dimethylpropanoate

4. Vxhfnalhlrwiiu-uhfffaoysa-n

5. Propanoic Acid, 2,2-dimethyl, 1,1-dimethylethyl Ester

6. Ac1las0k

7. Di-tert-butylcarboxylic Acid

8. Schembl307610

9. Ctk4d1901

10. Dtxsid60333947

11. Molport-001-756-890

12. Acn-s002406

13. Act03401

14. Zinc2386398

15. Mfcd01861974

16. Akos009158013

17. Rl02120

18. Kb-61409

19. 2,2-dimethylpropanoic Acid Tert-butyl Ester

20. Ft-0655056

21. St51055449

22. 2,2-dimethyl-propionic Acid Tert-butyl Ester

23. A810590

24. I14-6592

25. J-524823

26. Propanoic Acid, 2,2-dimethyl-, 1,1-dimethylethyl Ester

27. Propanoic Acid,2,2-dimethyl-, 1,1-dimethylethyl Ester

28. Inchi=1/c9h18o2/c1-8(2,3)7(10)11-9(4,5)6/h1-6h

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 158.241 g/mol
Molecular Formula C9H18O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass158.131 g/mol
Monoisotopic Mass158.131 g/mol
Topological Polar Surface Area26.3 A^2
Heavy Atom Count11
Formal Charge0
Complexity146
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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