tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane

C58H68O8Si2 — CID 10985865

IUPACtert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane
SMILESCCO[C@@H]1C=C[C@H](Oc2ccc3ccc(O[C@H]4C=C[C@@H](OCC)O[C@@H]4CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3c2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C58H68O8Si2/c1-9-59-55-37-35-51(53(65-55)41-61-67(57(3,4)5,47-23-15-11-16-24-47)48-25-17-12-18-26-48)63-45-33-31-43-32-34-46(40-44(43)39-45)64-52-36-38-56(60-10-2)66-54(52)42-62-68(58(6,7)8,49-27-19-13-20-28-49)50-29-21-14-22-30-50/h11-40,51-56H,9-10,41-42H2,1-8H3/t51-,52-,53+,54+,55-,56-/m0/s1
InChIKeySAIRXICGNBCHKL-ADGQSBTISA-N
MW949.35 g/mol
LogP10.12
Rot. Bonds18

About tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane (PubChem CID 10985865) has the molecular formula C58H68O8Si2 and a molecular weight of 949.35 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane
PubChem CID10985865
Molecular FormulaC58H68O8Si2
Molecular Weight949.35 g/mol
Exact Mass948.45
IUPAC Nametert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane
SMILESCCO[C@@H]1C=C[C@H](Oc2ccc3ccc(O[C@H]4C=C[C@@H](OCC)O[C@@H]4CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3c2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C58H68O8Si2/c1-9-59-55-37-35-51(53(65-55)41-61-67(57(3,4)5,47-23-15-11-16-24-47)48-25-17-12-18-26-48)63-45-33-31-43-32-34-46(40-44(43)39-45)64-52-36-38-56(60-10-2)66-54(52)42-62-68(58(6,7)8,49-27-19-13-20-28-49)50-29-21-14-22-30-50/h11-40,51-56H,9-10,41-42H2,1-8H3/t51-,52-,53+,54+,55-,56-/m0/s1
InChIKeySAIRXICGNBCHKL-ADGQSBTISA-N
XLogP10.12
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.35
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane with MolForge

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Related Compounds

(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
CID 134846505
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(4-iodophenoxy)oxane-3,4,5-triol
CID 134846501
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 46854165
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
[(1S)-1-[(2R,3S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]buta-2,3-dienyl] acetate
CID 10480830
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one
CID 101036860
tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane
CID 102574885
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane (CID 10985865) is tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane is CCO[C@@H]1C=C[C@H](Oc2ccc3ccc(O[C@H]4C=C[C@@H](OCC)O[C@@H]4CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3c2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane?
The InChIKey is SAIRXICGNBCHKL-ADGQSBTISA-N. The full InChI is InChI=1S/C58H68O8Si2/c1-9-59-55-37-35-51(53(65-55)41-61-67(57(3,4)5,47-23-15-11-16-24-47)48-25-17-12-18-26-48)63-45-33-31-43-32-34-46(40-44(43)39-45)64-52-36-38-56(60-10-2)66-54(52)42-62-68(58(6,7)8,49-27-19-13-20-28-49)50-29-21-14-22-30-50/h11-40,51-56H,9-10,41-42H2,1-8H3/t51-,52-,53+,54+,55-,56-/m0/s1.
What are the key properties of tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane has a molecular weight of 949.35 g/mol, XLogP of 10.12, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 10985865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).