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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

CAS 147118-35-2
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 Weight 534.7 g/mol
Molecular Formula C31H39O4PSi
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area52.6
Heavy Atom Count37
Formal Charge0
Complexity744
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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