tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane

C50H80O7Si2 — CID 11722008

IUPACtert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane
SMILESCOc1ccc(CO[C@@H]([C@H](C)CC[C@@H](C[C@@H]2C[C@H](CCCOCc3ccccc3)O[C@H](c3ccccc3)O2)O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C50H80O7Si2/c1-38(47(39(2)35-54-58(10,11)49(3,4)5)53-37-41-27-30-43(51-9)31-28-41)26-29-45(57-59(12,13)50(6,7)8)34-46-33-44(55-48(56-46)42-23-18-15-19-24-42)25-20-32-52-36-40-21-16-14-17-22-40/h14-19,21-24,27-28,30-31,38-39,44-48H,20,25-26,29,32-37H2,1-13H3/t38-,39-,44+,45+,46+,47+,48+/m1/s1
InChIKeyIBHVPOPORAYBIF-IUZGAKBHSA-N
MW849.35 g/mol
LogP13.31
Rot. Bonds23

About tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane (PubChem CID 11722008) has the molecular formula C50H80O7Si2 and a molecular weight of 849.35 g/mol. Its IUPAC name is tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane
PubChem CID11722008
Molecular FormulaC50H80O7Si2
Molecular Weight849.35 g/mol
Exact Mass848.54
IUPAC Nametert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane
SMILESCOc1ccc(CO[C@@H]([C@H](C)CC[C@@H](C[C@@H]2C[C@H](CCCOCc3ccccc3)O[C@H](c3ccccc3)O2)O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C50H80O7Si2/c1-38(47(39(2)35-54-58(10,11)49(3,4)5)53-37-41-27-30-43(51-9)31-28-41)26-29-45(57-59(12,13)50(6,7)8)34-46-33-44(55-48(56-46)42-23-18-15-19-24-42)25-20-32-52-36-40-21-16-14-17-22-40/h14-19,21-24,27-28,30-31,38-39,44-48H,20,25-26,29,32-37H2,1-13H3/t38-,39-,44+,45+,46+,47+,48+/m1/s1
InChIKeyIBHVPOPORAYBIF-IUZGAKBHSA-N
XLogP13.31
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.35
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(2S,3S,4S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-enoxy]-dimethylsilane
CID 67148866
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CID 11318925
methyl 2-methoxy-6-[(E,4R)-4-phenylmethoxy-5-[(2S,4R,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]pent-1-enyl]benzoate
CID 15953551
tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane
CID 15417385
(5S)-5-[(2S,3R,4R)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-7-phenylmethoxyheptan-3-yl]pyrrolidin-2-one
CID 11114448
tert-butyl-[(2R,3S,4S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptan-3-yl]oxy-dimethylsilane
CID 16754070
(2R,3R,4R,5R,7R,8S,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-2,4,8,10-tetramethyl-1-phenylmethoxyundecane-5,7-diol
CID 10865040
[(2S)-1-[(2R,3R,4S,5S)-5-(2-butoxyethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 134990310
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
(3R,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-one
CID 52920734
(4R,6S)-6-[(2S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-6-phenylmethoxyoctyl]-4-[[(4S,6R)-6-cyano-6-[[(4R,6R)-6-[[4-[[(4S,6R)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane-4-carbonitrile
CID 11083715
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane (CID 11722008) is tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane is COc1ccc(CO[C@@H]([C@H](C)CC[C@@H](C[C@@H]2C[C@H](CCCOCc3ccccc3)O[C@H](c3ccccc3)O2)O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane?
The InChIKey is IBHVPOPORAYBIF-IUZGAKBHSA-N. The full InChI is InChI=1S/C50H80O7Si2/c1-38(47(39(2)35-54-58(10,11)49(3,4)5)53-37-41-27-30-43(51-9)31-28-41)26-29-45(57-59(12,13)50(6,7)8)34-46-33-44(55-48(56-46)42-23-18-15-19-24-42)25-20-32-52-36-40-21-16-14-17-22-40/h14-19,21-24,27-28,30-31,38-39,44-48H,20,25-26,29,32-37H2,1-13H3/t38-,39-,44+,45+,46+,47+,48+/m1/s1.
What are the key properties of tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane has a molecular weight of 849.35 g/mol, XLogP of 13.31, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,5R,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-1-[(2S,4S,6S)-2-phenyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]octan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11722008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).