CAS 147118-35-2

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Also known as: 147118-35-2, Methyl (3r)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidene hexanoate, (r)-methyl 3-((tert-butyldimethylsilyl)oxy)-5-oxo-6-(triphenylphosphoranylidene)hexanoate, Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-lambda5-phosphanylidene)hexanoate, Methyl (3r)-3-(tert-butyldimethylsilanyloxy)-5-oxo-6-(triphenylphosphanylidene)hexanoate, Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenylphosphanylidene)hexanoate

Molecular Formula

C₃₁H₃₉O₄PSi

Molecular Weight

534.7 g/mol

InChI Key

LKFANOWXMJEZDI-AREMUKBSSA-N

1 2D Structure

CAS 147118-35-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-5-phosphanylidene)hexanoate

2.1.2 InChI

InChI=1S/C31H39O4PSi/c1-31(2,3)37(5,6)35-26(23-30(33)34-4)22-25(32)24-36(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-21,24,26H,22-23H2,1-6H3/t26-/m1/s1

2.1.3 InChI Key

LKFANOWXMJEZDI-AREMUKBSSA-N

2.1.4 Canonical SMILES

CC(C)(C)[Si](C)(C)OC(CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC

2.1.5 Isomeric SMILES

CC(C)(C)[Si](C)(C)O[C@H](CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 147118-35-2

2. Methyl (3r)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidene Hexanoate

3. (r)-methyl 3-((tert-butyldimethylsilyl)oxy)-5-oxo-6-(triphenylphosphoranylidene)hexanoate

4. Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-lambda5-phosphanylidene)hexanoate

5. Methyl (3r)-3-(tert-butyldimethylsilanyloxy)-5-oxo-6-(triphenylphosphanylidene)hexanoate

6. Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenylphosphanylidene)hexanoate

7. Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-?^{5}-phosphanylidene)hexanoate

8. Schembl2345036

9. Dtxsid701114586

10. Bcp10932

11. Mfcd09753068

12. Akos015896175

13. Zinc169744991

14. Am84433

15. As-15931

16. Hexanoic Acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-oxo-6-(triphenylphosphoranylidene)-, Methyl Ester, (3r)-

17. Db-038002

18. Cs-0148491

19. A24818

20. 118m352

21. J-521706

22. (3r)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidenehexanoate Methyl Ester

23. Methyl (r)-3-((tert-butyldimethylsilyl)oxy)-5-oxo-6-(triphenyl-l5-phosphanylidene)hexanoate

24. Methyl(3r)-3-(tert-butyldimethylsilanyloxy)-5-oxo-6-(triphenylphosphanylidene)hexanoate

25. Methyl(3r)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidenehexanoate

26. (r)-3-[(tert-butyldimethylsilyl)oxy]-6-(triphenylphosphoranylidene)-5-oxohexanoic Acid Methyl Ester

27. Methyl (3r)-3-(dimethyl(2-methyl-2-propanyl)silyloxy)-5-oxo-6-(triphenylphosphoranylidene)hexanoate

28. Methyl (3r)-3-(tert-butyldimethyl Silyloxy)-5-oxo-6-triphenyl Phosphoranylidene Hexanoate (j6)

29. Methyl (3r)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-oxo-6-(triphenylphosphoranylidene)hexanoate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₃₁H₃₉O₄PSi
Molecular Weight	534.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	52.6
Heavy Atom Count	37
Formal Charge	0
Complexity	744
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1