tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane

C38H64O6S2Si2 — CID 11422757

IUPACtert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane
SMILESCOc1ccc(COC[C@@H](CC2(C[C@H](COCc3ccc(OC)cc3)O[Si](C)(C)C(C)(C)C)SCCCS2)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C38H64O6S2Si2/c1-36(2,3)47(9,10)43-34(28-41-26-30-14-18-32(39-7)19-15-30)24-38(45-22-13-23-46-38)25-35(44-48(11,12)37(4,5)6)29-42-27-31-16-20-33(40-8)21-17-31/h14-21,34-35H,13,22-29H2,1-12H3/t34-,35-/m1/s1
InChIKeyVVNKUFNZNUCUCC-VSJLXWSYSA-N
MW737.23 g/mol
LogP10.56
Rot. Bonds18

About tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane (PubChem CID 11422757) has the molecular formula C38H64O6S2Si2 and a molecular weight of 737.23 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane
PubChem CID11422757
Molecular FormulaC38H64O6S2Si2
Molecular Weight737.23 g/mol
Exact Mass736.37
IUPAC Nametert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane
SMILESCOc1ccc(COC[C@@H](CC2(C[C@H](COCc3ccc(OC)cc3)O[Si](C)(C)C(C)(C)C)SCCCS2)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C38H64O6S2Si2/c1-36(2,3)47(9,10)43-34(28-41-26-30-14-18-32(39-7)19-15-30)24-38(45-22-13-23-46-38)25-35(44-48(11,12)37(4,5)6)29-42-27-31-16-20-33(40-8)21-17-31/h14-21,34-35H,13,22-29H2,1-12H3/t34-,35-/m1/s1
InChIKeyVVNKUFNZNUCUCC-VSJLXWSYSA-N
XLogP10.56
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.23
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(3S,4S,5R)-2-fluoro-5-[(4-methoxyphenyl)methoxy]-3-phenylselanyloxan-4-yl]oxy-dimethylsilane
CID 11071453
tert-butyl-[(2E)-2-[(2S,6R)-2-(iodomethyl)-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane
CID 11974079
tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[2-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-yl]-1,3-dithian-2-yl]methyl]-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane
CID 11974080
tert-butyl-[(1S,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-(1,3-dithian-2-yl)ethyl]-6-methoxy-5-[(4-methoxyphenyl)methoxy]-2-methylhexoxy]-dimethylsilane
CID 11169848
(2R,3S,4R)-3,4-Bis((4-methoxybenzyl)oxy)-2-(((4-methoxybenzyl)oxy)methyl)tetrahydrothiophene
CID 11179770
tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane
CID 59482136
Tert-butyl-[6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane
CID 72304470
[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11082575
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
2-[(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-1,3-dithiane
CID 11186055
tert-butyl-[(1R)-1-[(2S,3R,5R)-3-[dimethyl(phenyl)silyl]-5-[[2-[(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-1,3-dithian-2-yl]methyl]oxolan-2-yl]-3-triethylsilylprop-2-ynoxy]-dimethylsilane
CID 11205116
2-[(2E,6E)-8-[(4-methoxyphenyl)methoxy]-6-methylocta-2,6-dien-2-yl]-2-methyl-1,3-dithiane
CID 11292286

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane (CID 11422757) is tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane is COc1ccc(COC[C@@H](CC2(C[C@H](COCc3ccc(OC)cc3)O[Si](C)(C)C(C)(C)C)SCCCS2)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane?
The InChIKey is VVNKUFNZNUCUCC-VSJLXWSYSA-N. The full InChI is InChI=1S/C38H64O6S2Si2/c1-36(2,3)47(9,10)43-34(28-41-26-30-14-18-32(39-7)19-15-30)24-38(45-22-13-23-46-38)25-35(44-48(11,12)37(4,5)6)29-42-27-31-16-20-33(40-8)21-17-31/h14-21,34-35H,13,22-29H2,1-12H3/t34-,35-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane has a molecular weight of 737.23 g/mol, XLogP of 10.56, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-dithian-2-yl]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11422757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).