tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane

C46H84O7Si3 — CID 11125732

IUPACtert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane
SMILESCOc1ccc(CO[C@H](C)[C@@H](C[C@@H]2CCC=C(C(C)(C)/C=C/[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO[Si](C)(C)C(C)(C)C)O3)O2)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C46H84O7Si3/c1-34(48-32-35-23-25-36(47-13)26-24-35)41(53-56(18,19)45(8,9)10)31-37-21-20-22-42(51-37)46(11,12)28-27-38-29-39(52-55(16,17)44(5,6)7)30-40(50-38)33-49-54(14,15)43(2,3)4/h22-28,34,37-41H,20-21,29-33H2,1-19H3/b28-27+/t34-,37+,38+,39-,40+,41-/m1/s1
InChIKeyVYWYPAPTUNQWGG-AYKPBGOHSA-N
MW833.43 g/mol
LogP12.99
Rot. Bonds17

About tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane (PubChem CID 11125732) has the molecular formula C46H84O7Si3 and a molecular weight of 833.43 g/mol. Its IUPAC name is tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane
PubChem CID11125732
Molecular FormulaC46H84O7Si3
Molecular Weight833.43 g/mol
Exact Mass832.55
IUPAC Nametert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane
SMILESCOc1ccc(CO[C@H](C)[C@@H](C[C@@H]2CCC=C(C(C)(C)/C=C/[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO[Si](C)(C)C(C)(C)C)O3)O2)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C46H84O7Si3/c1-34(48-32-35-23-25-36(47-13)26-24-35)41(53-56(18,19)45(8,9)10)31-37-21-20-22-42(51-37)46(11,12)28-27-38-29-39(52-55(16,17)44(5,6)7)30-40(50-38)33-49-54(14,15)43(2,3)4/h22-28,34,37-41H,20-21,29-33H2,1-19H3/b28-27+/t34-,37+,38+,39-,40+,41-/m1/s1
InChIKeyVYWYPAPTUNQWGG-AYKPBGOHSA-N
XLogP12.99
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.43
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Verimol H
CID 85266197
Triethyl(4-methoxybenzyloxy)silane
CID 578646
4-Methoxybenzyl alcohol, tert-butyldimethylsilyl ether
CID 11075968
Bis(4-tert-butyldimethylsiloxy)benzyl ether
CID 101834909
Silane, dimethyldi(4-methoxybenzyloxy)-
CID 11078110
[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl trifluoromethanesulfonate
CID 10952961
tert-butyl-[(3S,4S,5R)-2-fluoro-5-[(4-methoxyphenyl)methoxy]-3-phenylselanyloxan-4-yl]oxy-dimethylsilane
CID 11071453
[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-3,6-dihydro-2H-pyran-5-yl] trifluoromethanesulfonate
CID 11227032
AB-131/42301497
CID 822103
1-Allyl(dimethyl)silyloxymethyl-4-methoxybenzene
CID 578604
(E,3S,4R,5S)-5-[(4-methoxyphenyl)methoxy]-7-[(1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexyl]-4,6-dimethylhept-6-ene-1,3-diol
CID 10674736
ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane
CID 11410168

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane (CID 11125732) is tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane is COc1ccc(CO[C@H](C)[C@@H](C[C@@H]2CCC=C(C(C)(C)/C=C/[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO[Si](C)(C)C(C)(C)C)O3)O2)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is VYWYPAPTUNQWGG-AYKPBGOHSA-N. The full InChI is InChI=1S/C46H84O7Si3/c1-34(48-32-35-23-25-36(47-13)26-24-35)41(53-56(18,19)45(8,9)10)31-37-21-20-22-42(51-37)46(11,12)28-27-38-29-39(52-55(16,17)44(5,6)7)30-40(50-38)33-49-54(14,15)43(2,3)4/h22-28,34,37-41H,20-21,29-33H2,1-19H3/b28-27+/t34-,37+,38+,39-,40+,41-/m1/s1.
What are the key properties of tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 833.43 g/mol, XLogP of 12.99, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11125732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).