CAS 185411-12-5

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8 Related Intermediates

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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

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 Formula	C₉H₁₈O₂Si
Molecular Weight	186.32 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	186.107606347 g/mol
Monoisotopic Mass	186.107606347 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1