tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane

C49H80O7Si4 — CID 10509934

IUPACtert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane
SMILESC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](Oc2ccc(OC)cc2)[C@H](O[Si](CC)(CC)CC)[C@H]1C
InChIInChI=1S/C49H80O7Si4/c1-18-59(19-2,20-3)56-45-37(4)44(46(38(5)54-57(13,14)15)55-58(16,17)48(6,7)8)53-43(47(45)52-40-33-31-39(50-12)32-34-40)35-36-51-60(49(9,10)11,41-27-23-21-24-28-41)42-29-25-22-26-30-42/h21-34,37,43-47H,5,18-20,35-36H2,1-4,6-17H3/t37-,43+,44+,45+,46+,47+/m0/s1
InChIKeyORSLFWGIHYFTLG-RIYCBUATSA-N
MW893.52 g/mol
LogP11.96
Rot. Bonds20

About tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane (PubChem CID 10509934) has the molecular formula C49H80O7Si4 and a molecular weight of 893.52 g/mol. Its IUPAC name is tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane
PubChem CID10509934
Molecular FormulaC49H80O7Si4
Molecular Weight893.52 g/mol
Exact Mass892.50
IUPAC Nametert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane
SMILESC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](Oc2ccc(OC)cc2)[C@H](O[Si](CC)(CC)CC)[C@H]1C
InChIInChI=1S/C49H80O7Si4/c1-18-59(19-2,20-3)56-45-37(4)44(46(38(5)54-57(13,14)15)55-58(16,17)48(6,7)8)53-43(47(45)52-40-33-31-39(50-12)32-34-40)35-36-51-60(49(9,10)11,41-27-23-21-24-28-41)42-29-25-22-26-30-42/h21-34,37,43-47H,5,18-20,35-36H2,1-4,6-17H3/t37-,43+,44+,45+,46+,47+/m0/s1
InChIKeyORSLFWGIHYFTLG-RIYCBUATSA-N
XLogP11.96
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.52
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane with MolForge

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Related Compounds

tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate
CID 10974553
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate
CID 11028378
2-[(2S,3R,4R,4aS,6R,7R,8aS)-7-[tert-butyl(diphenyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[(4-methoxyphenyl)methoxy]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 11083458
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate
CID 10918838
(Z,5R)-1-[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(4-methoxyphenyl)methoxy]hex-2-en-1-ol
CID 70843714
tert-butyl-[[(2S,3S)-3-[3-[(4-methoxyphenyl)methoxy]prop-1-en-2-yl]oxiran-2-yl]methoxy]-diphenylsilane
CID 11283212
(1S,2S,7R,10R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-10-[3-[(4-methoxyphenoxy)methoxy]prop-1-en-2-yl]-10-triethylsilyloxy-3-oxatricyclo[5.2.1.02,6]dec-5-en-4-one
CID 11764130
[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 135021145
(E,6S)-1-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-7-[tert-butyl(diphenyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[(4-methoxyphenyl)methoxy]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]-6-[(2S,3R,4S,5S,6S)-6-but-3-enyl-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 140867305
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
CID 134846505

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane (CID 10509934) is tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane is C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](Oc2ccc(OC)cc2)[C@H](O[Si](CC)(CC)CC)[C@H]1C.
What is the InChIKey of tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane?
The InChIKey is ORSLFWGIHYFTLG-RIYCBUATSA-N. The full InChI is InChI=1S/C49H80O7Si4/c1-18-59(19-2,20-3)56-45-37(4)44(46(38(5)54-57(13,14)15)55-58(16,17)48(6,7)8)53-43(47(45)52-40-33-31-39(50-12)32-34-40)35-36-51-60(49(9,10)11,41-27-23-21-24-28-41)42-29-25-22-26-30-42/h21-34,37,43-47H,5,18-20,35-36H2,1-4,6-17H3/t37-,43+,44+,45+,46+,47+/m0/s1.
What are the key properties of tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane has a molecular weight of 893.52 g/mol, XLogP of 11.96, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2R,3R,4R,5S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilyloxyprop-2-enyl]-3-(4-methoxyphenoxy)-5-methyl-4-triethylsilyloxyoxan-2-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 10509934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).