tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane

C40H70O9Si3 — CID 46702416

IUPACtert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C(OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](OCOC)C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OCOC
InChIInChI=1S/C40H70O9Si3/c1-13-50(14-2,15-3)47-37-34(44-29-41-10)38(48-51(16-4,17-5)18-6)36(46-31-43-12)39(35(37)45-30-42-11)49-52(40(7,8)9,32-25-21-19-22-26-32)33-27-23-20-24-28-33/h19-28,34-39H,13-18,29-31H2,1-12H3/t34?,35-,36-,37-,38+,39?/m1/s1
InChIKeyXUNOXYLYUUNNEX-PWXKWVLJSA-N
MW779.25 g/mol
LogP7.69
Rot. Bonds23

About tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane

tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane (PubChem CID 46702416) has the molecular formula C40H70O9Si3 and a molecular weight of 779.25 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane
PubChem CID46702416
Molecular FormulaC40H70O9Si3
Molecular Weight779.25 g/mol
Exact Mass778.43
IUPAC Nametert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1C(OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](OCOC)C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OCOC
InChIInChI=1S/C40H70O9Si3/c1-13-50(14-2,15-3)47-37-34(44-29-41-10)38(48-51(16-4,17-5)18-6)36(46-31-43-12)39(35(37)45-30-42-11)49-52(40(7,8)9,32-25-21-19-22-26-32)33-27-23-20-24-28-33/h19-28,34-39H,13-18,29-31H2,1-12H3/t34?,35-,36-,37-,38+,39?/m1/s1
InChIKeyXUNOXYLYUUNNEX-PWXKWVLJSA-N
XLogP7.69
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.25
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1R,3S,4R,6R)-3-benzoyloxy-5-[tert-butyl(diphenyl)silyl]oxy-2,4,6-tris(methoxymethoxy)cyclohexyl] benzoate
CID 10908843
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
2-[(1S,2S,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]acetaldehyde
CID 11193027
methyl 3-[(1S,2S,3R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]propanoate
CID 101235603
(1R,4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(methoxymethoxy)cyclohex-2-en-1-ol
CID 15981598
(6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5,6-tris(methoxymethoxy)cyclohex-2-en-1-one
CID 134831815
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
[(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol
CID 177392831
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
methyl (1S,5S,6S)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-bis(methoxymethoxy)cyclohex-2-ene-1-carboxylate
CID 102039676
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane (CID 46702416) is tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane is CC[Si](CC)(CC)O[C@@H]1C(OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](OCOC)C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OCOC.
What is the InChIKey of tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane?
The InChIKey is XUNOXYLYUUNNEX-PWXKWVLJSA-N. The full InChI is InChI=1S/C40H70O9Si3/c1-13-50(14-2,15-3)47-37-34(44-29-41-10)38(48-51(16-4,17-5)18-6)36(46-31-43-12)39(35(37)45-30-42-11)49-52(40(7,8)9,32-25-21-19-22-26-32)33-27-23-20-24-28-33/h19-28,34-39H,13-18,29-31H2,1-12H3/t34?,35-,36-,37-,38+,39?/m1/s1.
What are the key properties of tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane?
tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane has a molecular weight of 779.25 g/mol, XLogP of 7.69, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane is sourced from PubChem (CID 46702416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).