[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane

C29H58O5Si3 — CID 155643997

IUPAC[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
SMILESCCOOCCCCCCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C29H58O5Si3/c1-9-33-34-24-17-15-13-11-10-12-14-16-18-25-35(5,6)28-20-22-29(23-21-28)36(7,8)26-19-27-37(30-2,31-3)32-4/h20-23H,9-19,24-27H2,1-8H3
InChIKeyQISMRNZPSAMIJR-UHFFFAOYSA-N
MW571.04 g/mol
LogP7.26
Rot. Bonds23

About [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane

[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane (PubChem CID 155643997) has the molecular formula C29H58O5Si3 and a molecular weight of 571.04 g/mol. Its IUPAC name is [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane.

Molecular Properties

Compound Name[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
PubChem CID155643997
Molecular FormulaC29H58O5Si3
Molecular Weight571.04 g/mol
Exact Mass570.36
IUPAC Name[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
SMILESCCOOCCCCCCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C29H58O5Si3/c1-9-33-34-24-17-15-13-11-10-12-14-16-18-25-35(5,6)28-20-22-29(23-21-28)36(7,8)26-19-27-37(30-2,31-3)32-4/h20-23H,9-19,24-27H2,1-8H3
InChIKeyQISMRNZPSAMIJR-UHFFFAOYSA-N
XLogP7.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.04
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane
CID 155643967
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
[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-(11-ethylperoxyundecyl)-dimethoxysilane
CID 170541717
tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane
CID 170541723
[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
1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
CID 140691900

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane?
The IUPAC name of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane (CID 155643997) is [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane.
What is the SMILES notation for [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane?
The canonical SMILES for [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane is CCOOCCCCCCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc1.
What is the InChIKey of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane?
The InChIKey is QISMRNZPSAMIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58O5Si3/c1-9-33-34-24-17-15-13-11-10-12-14-16-18-25-35(5,6)28-20-22-29(23-21-28)36(7,8)26-19-27-37(30-2,31-3)32-4/h20-23H,9-19,24-27H2,1-8H3.
What are the key properties of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane?
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane has a molecular weight of 571.04 g/mol, XLogP of 7.26, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane is sourced from PubChem (CID 155643997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).