tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane

C57H102O6S2Si4 — CID 11073156

IUPACtert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(C1)C[C@@](C)(O[Si](C)(C)C(C)(C)C)C[C@H](CC[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C1SCCCS1)O2
InChIInChI=1S/C57H102O6S2Si4/c1-18-67(19-2,20-3)61-49-41-47(37-38-58-69(55(12,13)14,50-31-26-24-27-32-50)51-33-28-25-29-34-51)59-57(43-49)44-56(15,63-66(16,17)54(9,10)11)42-48(60-57)36-35-45(7)52(62-68(21-4,22-5)23-6)46(8)53-64-39-30-40-65-53/h24-29,31-34,45-49,52-53H,18-23,30,35-44H2,1-17H3/t45-,46+,47+,48+,49+,52+,56+,57-/m1/s1
InChIKeyNZVUWTWUONAHTP-NMVQBPRRSA-N
MW1059.91 g/mol
LogP15.82
Rot. Bonds24

About tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane (PubChem CID 11073156) has the molecular formula C57H102O6S2Si4 and a molecular weight of 1059.91 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane
PubChem CID11073156
Molecular FormulaC57H102O6S2Si4
Molecular Weight1059.91 g/mol
Exact Mass1058.62
IUPAC Nametert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(C1)C[C@@](C)(O[Si](C)(C)C(C)(C)C)C[C@H](CC[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C1SCCCS1)O2
InChIInChI=1S/C57H102O6S2Si4/c1-18-67(19-2,20-3)61-49-41-47(37-38-58-69(55(12,13)14,50-31-26-24-27-32-50)51-33-28-25-29-34-51)59-57(43-49)44-56(15,63-66(16,17)54(9,10)11)42-48(60-57)36-35-45(7)52(62-68(21-4,22-5)23-6)46(8)53-64-39-30-40-65-53/h24-29,31-34,45-49,52-53H,18-23,30,35-44H2,1-17H3/t45-,46+,47+,48+,49+,52+,56+,57-/m1/s1
InChIKeyNZVUWTWUONAHTP-NMVQBPRRSA-N
XLogP15.82
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.91
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane with MolForge

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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
(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol
CID 10975003
CID 11331313
CID 11331313
CID 11490834
CID 11490834
[2-(benzenesulfonyl)-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2,4-trimethyl-1,3-dioxan-4-yl]propyl]-trimethylsilane
CID 21681676
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
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-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane
CID 134936367
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2-diethyl-6-(hydroxymethyl)-1,3-dioxan-4-yl]-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol
CID 72713815
tert-butyl-[(2S)-2-[(8R,11S)-11-methyl-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]butoxy]-diphenylsilane
CID 10697163
tert-butyl-[3-[(1R,3R,4S,6R,8R,10S,12R)-4-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-13,13-bis(ethylsulfanyl)-3-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]propoxy]-diphenylsilane
CID 10975024

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane (CID 11073156) is tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane is CC[Si](CC)(CC)O[C@H]1C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(C1)C[C@@](C)(O[Si](C)(C)C(C)(C)C)C[C@H](CC[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C1SCCCS1)O2.
What is the InChIKey of tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?
The InChIKey is NZVUWTWUONAHTP-NMVQBPRRSA-N. The full InChI is InChI=1S/C57H102O6S2Si4/c1-18-67(19-2,20-3)61-49-41-47(37-38-58-69(55(12,13)14,50-31-26-24-27-32-50)51-33-28-25-29-34-51)59-57(43-49)44-56(15,63-66(16,17)54(9,10)11)42-48(60-57)36-35-45(7)52(62-68(21-4,22-5)23-6)46(8)53-64-39-30-40-65-53/h24-29,31-34,45-49,52-53H,18-23,30,35-44H2,1-17H3/t45-,46+,47+,48+,49+,52+,56+,57-/m1/s1.
What are the key properties of tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane has a molecular weight of 1059.91 g/mol, XLogP of 15.82, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 11073156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).