[(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane

C48H88O4S2Si4 — CID 53362870

IUPAC[(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C1SCCCS1)[C@H](C[C@@H](C[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H88O4S2Si4/c1-44(2,3)55(15,16)50-38(32-33-49-58(47(10,11)12,40-28-23-21-24-29-40)41-30-25-22-26-31-41)36-39(51-56(17,18)45(4,5)6)37-42(52-57(19,20)46(7,8)9)48(13,14)43-53-34-27-35-54-43/h21-26,28-31,38-39,42-43H,27,32-37H2,1-20H3/t38-,39+,42-/m0/s1
InChIKeyYKXIZOSTZLCIBJ-RDFJTFJDSA-N
MW905.71 g/mol
LogP14.13
Rot. Bonds18

About [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane

[(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 53362870) has the molecular formula C48H88O4S2Si4 and a molecular weight of 905.71 g/mol. Its IUPAC name is [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID53362870
Molecular FormulaC48H88O4S2Si4
Molecular Weight905.71 g/mol
Exact Mass904.52
IUPAC Name[(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C1SCCCS1)[C@H](C[C@@H](C[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H88O4S2Si4/c1-44(2,3)55(15,16)50-38(32-33-49-58(47(10,11)12,40-28-23-21-24-29-40)41-30-25-22-26-31-41)36-39(51-56(17,18)45(4,5)6)37-42(52-57(19,20)46(7,8)9)48(13,14)43-53-34-27-35-54-43/h21-26,28-31,38-39,42-43H,27,32-37H2,1-20H3/t38-,39+,42-/m0/s1
InChIKeyYKXIZOSTZLCIBJ-RDFJTFJDSA-N
XLogP14.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.71
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[2-[(4R,6S)-6-[2-(1,3-dithian-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11974078
tert-butyl-[(1R,2R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[2-(1,3-dithian-2-yl)propan-2-yl]-2,4-dimethylnon-8-enoxy]-diphenylsilane
CID 134875180
tert-butyl-[2-[(4R,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)-3-methylbutyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 134878049
tert-butyl-[2-[(4S,6S)-6-[(2S)-3-(1,3-dithian-2-yl)-2-(methoxymethoxy)-3-methylbutyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 134881831
(4S,6R)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutyl]-3,3-dimethyl-2-(3-sulfanylpropylsulfanyl)oxan-4-ol
CID 134928318
tert-butyl-[2-[(2S,3S,6R)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 134936241
Tert-butyl-[6-(2-heptyl-1,3-dithian-2-yl)hexoxy]-diphenylsilane
CID 134936485
(3R,5S)-1-[tert-butyl(diphenyl)silyl]oxy-6-(1,3-dithian-2-yl)-6-methylheptane-3,5-diol
CID 101414683
[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(1,3-dithian-2-yl)-1-methylcyclohexyl]methanol
CID 10508398
tert-butyl-[(2S)-2-[(8R,11S)-11-methyl-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]butoxy]-diphenylsilane
CID 10697163
(2S,4R,6S)-8-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethoxy-1-[2-[(2R)-2-methoxypentyl]-1,3-dithian-2-yl]octan-2-ol
CID 10908505
tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane
CID 10974640

Frequently Asked Questions

What is the IUPAC name of [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane (CID 53362870) is [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C1SCCCS1)[C@H](C[C@@H](C[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YKXIZOSTZLCIBJ-RDFJTFJDSA-N. The full InChI is InChI=1S/C48H88O4S2Si4/c1-44(2,3)55(15,16)50-38(32-33-49-58(47(10,11)12,40-28-23-21-24-29-40)41-30-25-22-26-31-41)36-39(51-56(17,18)45(4,5)6)37-42(52-57(19,20)46(7,8)9)48(13,14)43-53-34-27-35-54-43/h21-26,28-31,38-39,42-43H,27,32-37H2,1-20H3/t38-,39+,42-/m0/s1.
What are the key properties of [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane?
[(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 905.71 g/mol, XLogP of 14.13, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[tert-butyl(diphenyl)silyl]oxy-8-(1,3-dithian-2-yl)-8-methylnonan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 53362870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).