tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane

C50H112O14Si9 — CID 155643967

IUPACtris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane
SMILESCCOOCCCCCCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](O[Si](C)(C)CCC[Si](OC)(OC)OC)(O[Si](C)(C)CCC[Si](OC)(OC)OC)O[Si](C)(C)CCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C50H112O14Si9/c1-21-60-61-39-29-27-25-23-22-24-26-28-30-40-65(11,12)49-35-37-50(38-36-49)66(13,14)41-31-48-73(62-67(15,16)42-32-45-70(51-2,52-3)53-4,63-68(17,18)43-33-46-71(54-5,55-6)56-7)64-69(19,20)44-34-47-72(57-8,58-9)59-10/h35-38H,21-34,39-48H2,1-20H3
InChIKeyLFTBKPRPTDZUNX-UHFFFAOYSA-N
MW1190.21 g/mol
LogP12.80
Rot. Bonds47

About tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane

tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane (PubChem CID 155643967) has the molecular formula C50H112O14Si9 and a molecular weight of 1190.21 g/mol. Its IUPAC name is tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane.

Molecular Properties

Compound Nametris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane
PubChem CID155643967
Molecular FormulaC50H112O14Si9
Molecular Weight1190.21 g/mol
Exact Mass1188.60
IUPAC Nametris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane
SMILESCCOOCCCCCCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](O[Si](C)(C)CCC[Si](OC)(OC)OC)(O[Si](C)(C)CCC[Si](OC)(OC)OC)O[Si](C)(C)CCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C50H112O14Si9/c1-21-60-61-39-29-27-25-23-22-24-26-28-30-40-65(11,12)49-35-37-50(38-36-49)66(13,14)41-31-48-73(62-67(15,16)42-32-45-70(51-2,52-3)53-4,63-68(17,18)43-33-46-71(54-5,55-6)56-7)64-69(19,20)44-34-47-72(57-8,58-9)59-10/h35-38H,21-34,39-48H2,1-20H3
InChIKeyLFTBKPRPTDZUNX-UHFFFAOYSA-N
XLogP12.80
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds47
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.21
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

tris[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane
CID 155643898
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
CID 155643997
tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane
CID 170541723
[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-(11-ethylperoxyundecyl)-dimethoxysilane
CID 170541717
11-ethylperoxyundecyl(trimethoxy)silane
CID 155643912
carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane
CID 162048777
dimethyl-(3-trimethoxysilylpropyl)-(4-trimethylsilylphenyl)silane
CID 156627225
[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane
CID 155609330
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609338
trimethoxy(11-methylperoxyundecyl)silane
CID 155643983
(4-ethoxyphenyl)-heptyl-dimethylsilane
CID 67899813
[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane
CID 59027325

Frequently Asked Questions

What is the IUPAC name of tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane?
The IUPAC name of tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane (CID 155643967) is tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane.
What is the SMILES notation for tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane?
The canonical SMILES for tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane is CCOOCCCCCCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](O[Si](C)(C)CCC[Si](OC)(OC)OC)(O[Si](C)(C)CCC[Si](OC)(OC)OC)O[Si](C)(C)CCC[Si](OC)(OC)OC)cc1.
What is the InChIKey of tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane?
The InChIKey is LFTBKPRPTDZUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H112O14Si9/c1-21-60-61-39-29-27-25-23-22-24-26-28-30-40-65(11,12)49-35-37-50(38-36-49)66(13,14)41-31-48-73(62-67(15,16)42-32-45-70(51-2,52-3)53-4,63-68(17,18)43-33-46-71(54-5,55-6)56-7)64-69(19,20)44-34-47-72(57-8,58-9)59-10/h35-38H,21-34,39-48H2,1-20H3.
What are the key properties of tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane?
tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane has a molecular weight of 1190.21 g/mol, XLogP of 12.80, 47 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane is sourced from PubChem (CID 155643967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).