2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane

C77H114O24Si15 — CID 158661600

IUPAC2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane
SMILESCO[Si](C)(CC[Si](C)(C)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[Si](C)(C)CC[Si](OC)(OC)OC)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[Si](C)(C)CCCOCC3CO3)(c3ccccc3)O[Si](c3ccccc3)(O[Si](O[Si](C)(C)CC[Si](OC)(OC)OC)(c3ccccc3)O1)O2)OC
InChIInChI=1S/C77H114O24Si15/c1-78-106(17,79-2)64-61-103(11,12)89-110(71-45-28-19-29-46-71)94-115(76-55-38-24-39-56-76)98-112(73-49-32-21-33-50-73,91-105(15,16)63-66-108(83-6,84-7)85-8)99-116(95-110,77-57-40-25-41-58-77)101-114(75-53-36-23-37-54-75)93-109(70-43-26-18-27-44-70,88-102(9,10)60-42-59-86-67-69-68-87-69)92-113(100-115,74-51-34-22-35-52-74)96-111(97-114,72-47-30-20-31-48-72)90-104(13,14)62-65-107(80-3,81-4)82-5/h18-41,43-58,69H,42,59-68H2,1-17H3
InChIKeyBMPHHKPPDNVEEE-UHFFFAOYSA-N
MW1845.02 g/mol
LogP9.78
Rot. Bonds39

About 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane

2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane (PubChem CID 158661600) has the molecular formula C77H114O24Si15 and a molecular weight of 1845.02 g/mol. Its IUPAC name is 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Name2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane
PubChem CID158661600
Molecular FormulaC77H114O24Si15
Molecular Weight1845.02 g/mol
Exact Mass1842.42
IUPAC Name2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane
SMILESCO[Si](C)(CC[Si](C)(C)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[Si](C)(C)CC[Si](OC)(OC)OC)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[Si](C)(C)CCCOCC3CO3)(c3ccccc3)O[Si](c3ccccc3)(O[Si](O[Si](C)(C)CC[Si](OC)(OC)OC)(c3ccccc3)O1)O2)OC
InChIInChI=1S/C77H114O24Si15/c1-78-106(17,79-2)64-61-103(11,12)89-110(71-45-28-19-29-46-71)94-115(76-55-38-24-39-56-76)98-112(73-49-32-21-33-50-73,91-105(15,16)63-66-108(83-6,84-7)85-8)99-116(95-110,77-57-40-25-41-58-77)101-114(75-53-36-23-37-54-75)93-109(70-43-26-18-27-44-70,88-102(9,10)60-42-59-86-67-69-68-87-69)92-113(100-115,74-51-34-22-35-52-74)96-111(97-114,72-47-30-20-31-48-72)90-104(13,14)62-65-107(80-3,81-4)82-5/h18-41,43-58,69H,42,59-68H2,1-17H3
InChIKeyBMPHHKPPDNVEEE-UHFFFAOYSA-N
XLogP9.78
TPSA224.82 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds39
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001845.02
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane?
The IUPAC name of 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane (CID 158661600) is 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane.
What is the SMILES notation for 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane?
The canonical SMILES for 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane is CO[Si](C)(CC[Si](C)(C)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[Si](C)(C)CC[Si](OC)(OC)OC)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[Si](C)(C)CCCOCC3CO3)(c3ccccc3)O[Si](c3ccccc3)(O[Si](O[Si](C)(C)CC[Si](OC)(OC)OC)(c3ccccc3)O1)O2)OC.
What is the InChIKey of 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane?
The InChIKey is BMPHHKPPDNVEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H114O24Si15/c1-78-106(17,79-2)64-61-103(11,12)89-110(71-45-28-19-29-46-71)94-115(76-55-38-24-39-56-76)98-112(73-49-32-21-33-50-73,91-105(15,16)63-66-108(83-6,84-7)85-8)99-116(95-110,77-57-40-25-41-58-77)101-114(75-53-36-23-37-54-75)93-109(70-43-26-18-27-44-70,88-102(9,10)60-42-59-86-67-69-68-87-69)92-113(100-115,74-51-34-22-35-52-74)96-111(97-114,72-47-30-20-31-48-72)90-104(13,14)62-65-107(80-3,81-4)82-5/h18-41,43-58,69H,42,59-68H2,1-17H3.
What are the key properties of 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane?
2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane has a molecular weight of 1845.02 g/mol, XLogP of 9.78, 39 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane is sourced from PubChem (CID 158661600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).