2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethanol

C₂₀H₄₂O₃Si₂CAS 139356-37-9386.72 g/mol

Open in Covalent MOL file

Alcohol Alkene Silyl ether

Properties

Molecular formula: C₂₀H₄₂O₃Si₂
Molar mass: 386.72 g/mol
Exact mass: 386.2672 Da
logP: 5.87Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

139356-37-9

SMILES

CC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C1

InChIKey

YDSSQNPZARKZPC-QZTJIDSGSA-N

InChI

InChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18,21H,12-15H2,1-10H3/t17-,18-/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Ethanol, 2-[(3R,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-
Ethanol, 2-[3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-, (3R-trans)-

Work with 2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethanol

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

4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]dihydro-2H-pyran-2,6(3H)-dione91424-40-745 % similar 2-(tert-Butyldimethylsiloxy)ethanol102229-10-734 % similar tert-Butyldimethyl[((S)-oxiranyl)methoxy]silane123237-62-733 % similar Methyl (3R)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-oxo-6-(triphenylphosphoranylidene)hexanoate147118-35-233 % similar 2-((tert-Butyldimethylsilyl)oxy)acetaldehyde102191-92-430 % similar Allyloxy-T-butyldimethylsilane105875-75-030 % similar

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

Elsewhere

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