dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane

C48H128O32Si20 — CID 139238964

IUPACdimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane
SMILESCCO[Si](CC[Si](C)(C)O[Si]12O[Si]3(O[SiH](C)C)O[Si]4(O[SiH](C)C)O[Si]5(O[SiH](C)C)O[Si](O[SiH](C)C)(O3)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O1)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O5)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O4)O2)(OCC)OCC
InChIInChI=1S/C48H128O32Si20/c1-29-49-89(50-30-2,51-31-3)45-41-85(21,22)65-97-73-93(61-81(13)14)69-94(62-82(15)16)71-96(64-84(19)20)72-95(70-93,63-83(17)18)75-99(78-97,67-87(25,26)43-47-91(55-35-7,56-36-8)57-37-9)80-100(76-96,68-88(27,28)44-48-92(58-38-10,59-39-11)60-40-12)79-98(74-94,77-97)66-86(23,24)42-46-90(52-32-4,53-33-5)54-34-6/h81-84H,29-48H2,1-28H3
InChIKeyMZFOQFFYSIUNKM-UHFFFAOYSA-N
MW1779.24 g/mol
LogP8.82
Rot. Bonds52

About dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane

dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane (PubChem CID 139238964) has the molecular formula C48H128O32Si20 and a molecular weight of 1779.24 g/mol. Its IUPAC name is dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane.

Molecular Properties

Compound Namedimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane
PubChem CID139238964
Molecular FormulaC48H128O32Si20
Molecular Weight1779.24 g/mol
Exact Mass1776.38
IUPAC Namedimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane
SMILESCCO[Si](CC[Si](C)(C)O[Si]12O[Si]3(O[SiH](C)C)O[Si]4(O[SiH](C)C)O[Si]5(O[SiH](C)C)O[Si](O[SiH](C)C)(O3)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O1)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O5)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O4)O2)(OCC)OCC
InChIInChI=1S/C48H128O32Si20/c1-29-49-89(50-30-2,51-31-3)45-41-85(21,22)65-97-73-93(61-81(13)14)69-94(62-82(15)16)71-96(64-84(19)20)72-95(70-93,63-83(17)18)75-99(78-97,67-87(25,26)43-47-91(55-35-7,56-36-8)57-37-9)80-100(76-96,68-88(27,28)44-48-92(58-38-10,59-39-11)60-40-12)79-98(74-94,77-97)66-86(23,24)42-46-90(52-32-4,53-33-5)54-34-6/h81-84H,29-48H2,1-28H3
InChIKeyMZFOQFFYSIUNKM-UHFFFAOYSA-N
XLogP8.82
TPSA295.36 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds52
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001779.24
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane?
The IUPAC name of dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane (CID 139238964) is dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane.
What is the SMILES notation for dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane?
The canonical SMILES for dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane is CCO[Si](CC[Si](C)(C)O[Si]12O[Si]3(O[SiH](C)C)O[Si]4(O[SiH](C)C)O[Si]5(O[SiH](C)C)O[Si](O[SiH](C)C)(O3)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O1)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O5)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O4)O2)(OCC)OCC.
What is the InChIKey of dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane?
The InChIKey is MZFOQFFYSIUNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H128O32Si20/c1-29-49-89(50-30-2,51-31-3)45-41-85(21,22)65-97-73-93(61-81(13)14)69-94(62-82(15)16)71-96(64-84(19)20)72-95(70-93,63-83(17)18)75-99(78-97,67-87(25,26)43-47-91(55-35-7,56-36-8)57-37-9)80-100(76-96,68-88(27,28)44-48-92(58-38-10,59-39-11)60-40-12)79-98(74-94,77-97)66-86(23,24)42-46-90(52-32-4,53-33-5)54-34-6/h81-84H,29-48H2,1-28H3.
What are the key properties of dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane?
dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane has a molecular weight of 1779.24 g/mol, XLogP of 8.82, 52 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[3,5,7,9-tetrakis(dimethylsilyloxy)-11,13,15-tris[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]-(2-triethoxysilylethyl)silane is sourced from PubChem (CID 139238964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).