triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane

C80H200O44Si24 — CID 139238963

IUPACtriethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane
SMILESCCO[Si](CC[Si](C)(C)O[Si]12O[Si]3(O[Si](C)(C)CC[Si](OCC)(OCC)OCC)O[Si]4(O[Si](C)(C)CC[Si](OCC)(OCC)OCC)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O1)O[Si]1(O[Si](C)(C)CC[Si](OCC)(OCC)OCC)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O2)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O3)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O4)O1)(OCC)OCC
InChIInChI=1S/C80H200O44Si24/c1-41-81-133(82-42-2,83-43-3)73-65-125(25,26)105-141-113-142(106-126(27,28)66-74-134(84-44-4,85-45-5)86-46-6)116-145(109-129(33,34)69-77-137(93-53-13,94-54-14)95-55-15)118-143(114-141,107-127(29,30)67-75-135(87-47-7,88-48-8)89-49-9)120-147(111-131(37,38)71-79-139(99-59-19,100-60-20)101-61-21)121-144(115-141,108-128(31,32)68-76-136(90-50-10,91-51-11)92-52-12)119-146(117-142,110-130(35,36)70-78-138(96-56-16,97-57-17)98-58-18)123-148(122-145,124-147)112-132(39,40)72-80-140(102-62-22,103-63-23)104-64-24/h41-80H2,1-40H3
InChIKeyXHONJBAFXYRFMW-UHFFFAOYSA-N
MW2540.50 g/mol
LogP17.90
Rot. Bonds88

About triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane

triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane (PubChem CID 139238963) has the molecular formula C80H200O44Si24 and a molecular weight of 2540.50 g/mol. Its IUPAC name is triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane
PubChem CID139238963
Molecular FormulaC80H200O44Si24
Molecular Weight2540.50 g/mol
Exact Mass2536.79
IUPAC Nametriethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane
SMILESCCO[Si](CC[Si](C)(C)O[Si]12O[Si]3(O[Si](C)(C)CC[Si](OCC)(OCC)OCC)O[Si]4(O[Si](C)(C)CC[Si](OCC)(OCC)OCC)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O1)O[Si]1(O[Si](C)(C)CC[Si](OCC)(OCC)OCC)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O2)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O3)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O4)O1)(OCC)OCC
InChIInChI=1S/C80H200O44Si24/c1-41-81-133(82-42-2,83-43-3)73-65-125(25,26)105-141-113-142(106-126(27,28)66-74-134(84-44-4,85-45-5)86-46-6)116-145(109-129(33,34)69-77-137(93-53-13,94-54-14)95-55-15)118-143(114-141,107-127(29,30)67-75-135(87-47-7,88-48-8)89-49-9)120-147(111-131(37,38)71-79-139(99-59-19,100-60-20)101-61-21)121-144(115-141,108-128(31,32)68-76-136(90-50-10,91-51-11)92-52-12)119-146(117-142,110-130(35,36)70-78-138(96-56-16,97-57-17)98-58-18)123-148(122-145,124-147)112-132(39,40)72-80-140(102-62-22,103-63-23)104-64-24/h41-80H2,1-40H3
InChIKeyXHONJBAFXYRFMW-UHFFFAOYSA-N
XLogP17.90
TPSA406.12 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds88
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002540.50
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane?
The IUPAC name of triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane (CID 139238963) is triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane.
What is the SMILES notation for triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane?
The canonical SMILES for triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane is CCO[Si](CC[Si](C)(C)O[Si]12O[Si]3(O[Si](C)(C)CC[Si](OCC)(OCC)OCC)O[Si]4(O[Si](C)(C)CC[Si](OCC)(OCC)OCC)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O1)O[Si]1(O[Si](C)(C)CC[Si](OCC)(OCC)OCC)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O2)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O3)O[Si](O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(O4)O1)(OCC)OCC.
What is the InChIKey of triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane?
The InChIKey is XHONJBAFXYRFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H200O44Si24/c1-41-81-133(82-42-2,83-43-3)73-65-125(25,26)105-141-113-142(106-126(27,28)66-74-134(84-44-4,85-45-5)86-46-6)116-145(109-129(33,34)69-77-137(93-53-13,94-54-14)95-55-15)118-143(114-141,107-127(29,30)67-75-135(87-47-7,88-48-8)89-49-9)120-147(111-131(37,38)71-79-139(99-59-19,100-60-20)101-61-21)121-144(115-141,108-128(31,32)68-76-136(90-50-10,91-51-11)92-52-12)119-146(117-142,110-130(35,36)70-78-138(96-56-16,97-57-17)98-58-18)123-148(122-145,124-147)112-132(39,40)72-80-140(102-62-22,103-63-23)104-64-24/h41-80H2,1-40H3.
What are the key properties of triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane?
triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane has a molecular weight of 2540.50 g/mol, XLogP of 17.90, 88 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-[[3,5,7,9,11,13,15-heptakis[[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-dimethylsilyl]ethyl]silane is sourced from PubChem (CID 139238963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).