(3R-Trans)-[2-[3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethyl]diphenyl-phosphine oxide

C₃₂H₅₁O₃PSi₂CAS 139356-39-1570.90 g/mol

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Alkene Silyl ether

Properties

Molecular formula: C₃₂H₅₁O₃PSi₂
Molar mass: 570.90 g/mol
Exact mass: 570.3114 Da
logP: 8.89Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

139356-39-1

SMILES

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(=CCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C1)O[Si](C)(C)C(C)(C)C

InChIKey

LOVRVVSIBIVFTN-VSGBNLITSA-N

InChI

InChI=1S/C32H51O3PSi2/c1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-21,27-28H,22-25H2,1-10H3/t27-,28-/m1/s1

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Names and synonyms

1 names

(2-((3R,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)cyclohexylidene)ethyl)diphenylphosphine oxide

Work with (3R-Trans)-[2-[3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethyl]diphenyl-phosphine oxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethanol139356-37-953 % similar Methyl (3R)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-oxo-6-(triphenylphosphoranylidene)hexanoate147118-35-250 % similar 4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]dihydro-2H-pyran-2,6(3H)-dione91424-40-738 % similar Ethyldiphenylphosphine oxide1733-57-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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