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Also known as: 185411-12-5, Methyl 3-(trimethylsilyl)pent-4-enoate, Methyl 3-trimethylsilylpent-4-enoate, 3-(trimethylsilyl)-4-pentenoic acid methyl ester, 4-pentenoic acid, 3-(trimethylsilyl)-, methyl ester, Methyl3-(trimethylsilyl)-4-pentenoate
Molecular Formula
C9H18O2Si
Molecular Weight
186.32  g/mol
InChI Key
DJXDHDYQDMVTPZ-UHFFFAOYSA-N

CAS 185411-12-5
1 2D Structure

CAS 185411-12-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 3-trimethylsilylpent-4-enoate
2.1.2 InChI
InChI=1S/C9H18O2Si/c1-6-8(12(3,4)5)7-9(10)11-2/h6,8H,1,7H2,2-5H3
2.1.3 InChI Key
DJXDHDYQDMVTPZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)CC(C=C)[Si](C)(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 185411-12-5

2. Methyl 3-(trimethylsilyl)pent-4-enoate

3. Methyl 3-trimethylsilylpent-4-enoate

4. 3-(trimethylsilyl)-4-pentenoic Acid Methyl Ester

5. 4-pentenoic Acid, 3-(trimethylsilyl)-, Methyl Ester

6. Methyl3-(trimethylsilyl)-4-pentenoate

7. Schembl502858

8. Dtxsid70392005

9. Bcp06894

10. Mfcd01863734

11. Akos015914428

12. Am84642

13. Ds-9303

14. Methyl3-(trimethylsilyl)pent-4-enoate

15. Ac-30882

16. Da-32804

17. Cs-0022089

18. Ft-0690003

19. Methyl 3-(trimethylsilyl)-4-pentenoate, 97%

20. O11894

21. A880714

22. A1-01855

23. J-650386

24. J-802239

2.3 Create Date
2005-09-08
3 Chemical and Physical Properties
Molecular Weight 186.32 g/mol
Molecular Formula C9H18O2Si
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass186.107606347 g/mol
Monoisotopic Mass186.107606347 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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