trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane

C63H88O18Si11 — CID 58960184

IUPACtrimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane
SMILESCC[Si@]1(C)O[Si@]2(CC)O[Si]3(c4ccc(OCCOC)cc4)O[Si@](c4ccc(C#Cc5ccccc5)cc4)(O[Si@](CC)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC)O2)O[Si@@](O[Si](C)(C)C)(c2ccc(OCCOC)cc2)O[Si@@](c2ccc(C#Cc4ccccc4)cc2)(O3)O1
InChIInChI=1S/C63H88O18Si11/c1-17-86(16)73-88(19-3)75-87(18-2,72-85(14,15)71-84(12,13)70-83(10,11)66-6)76-91(61-44-36-57(37-45-61)33-31-55-28-24-21-25-29-55)79-89(69-82(7,8)9,62-46-38-58(39-47-62)67-52-50-64-4)78-90(74-86,60-42-34-56(35-43-60)32-30-54-26-22-20-23-27-54)80-92(77-88,81-91)63-48-40-59(41-49-63)68-53-51-65-5/h20-29,34-49H,17-19,50-53H2,1-16H3/t86-,87-,88+,89-,90+,91-,92?/m1/s1
InChIKeyHOQFLFZNVCDFNE-QRXDXLRMSA-N
MW1442.32 g/mol
LogP10.07
Rot. Bonds24

About trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane

trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane (PubChem CID 58960184) has the molecular formula C63H88O18Si11 and a molecular weight of 1442.32 g/mol. Its IUPAC name is trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane
PubChem CID58960184
Molecular FormulaC63H88O18Si11
Molecular Weight1442.32 g/mol
Exact Mass1440.34
IUPAC Nametrimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane
SMILESCC[Si@]1(C)O[Si@]2(CC)O[Si]3(c4ccc(OCCOC)cc4)O[Si@](c4ccc(C#Cc5ccccc5)cc4)(O[Si@](CC)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC)O2)O[Si@@](O[Si](C)(C)C)(c2ccc(OCCOC)cc2)O[Si@@](c2ccc(C#Cc4ccccc4)cc2)(O3)O1
InChIInChI=1S/C63H88O18Si11/c1-17-86(16)73-88(19-3)75-87(18-2,72-85(14,15)71-84(12,13)70-83(10,11)66-6)76-91(61-44-36-57(37-45-61)33-31-55-28-24-21-25-29-55)79-89(69-82(7,8)9,62-46-38-58(39-47-62)67-52-50-64-4)78-90(74-86,60-42-34-56(35-43-60)32-30-54-26-22-20-23-27-54)80-92(77-88,81-91)63-48-40-59(41-49-63)68-53-51-65-5/h20-29,34-49H,17-19,50-53H2,1-16H3/t86-,87-,88+,89-,90+,91-,92?/m1/s1
InChIKeyHOQFLFZNVCDFNE-QRXDXLRMSA-N
XLogP10.07
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001442.32
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane?
The IUPAC name of trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane (CID 58960184) is trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane is CC[Si@]1(C)O[Si@]2(CC)O[Si]3(c4ccc(OCCOC)cc4)O[Si@](c4ccc(C#Cc5ccccc5)cc4)(O[Si@](CC)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC)O2)O[Si@@](O[Si](C)(C)C)(c2ccc(OCCOC)cc2)O[Si@@](c2ccc(C#Cc4ccccc4)cc2)(O3)O1.
What is the InChIKey of trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane?
The InChIKey is HOQFLFZNVCDFNE-QRXDXLRMSA-N. The full InChI is InChI=1S/C63H88O18Si11/c1-17-86(16)73-88(19-3)75-87(18-2,72-85(14,15)71-84(12,13)70-83(10,11)66-6)76-91(61-44-36-57(37-45-61)33-31-55-28-24-21-25-29-55)79-89(69-82(7,8)9,62-46-38-58(39-47-62)67-52-50-64-4)78-90(74-86,60-42-34-56(35-43-60)32-30-54-26-22-20-23-27-54)80-92(77-88,81-91)63-48-40-59(41-49-63)68-53-51-65-5/h20-29,34-49H,17-19,50-53H2,1-16H3/t86-,87-,88+,89-,90+,91-,92?/m1/s1.
What are the key properties of trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane?
trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane has a molecular weight of 1442.32 g/mol, XLogP of 10.07, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1S,3R,5R,7R,9S,14R)-7,9,14-triethyl-7-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-3,11-bis[4-(2-methoxyethoxy)phenyl]-14-methyl-1,5-bis[4-(2-phenylethynyl)phenyl]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]silane is sourced from PubChem (CID 58960184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).