tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane

C31H78O14Si7 — CID 170541723

IUPACtris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane
SMILESCCOOCCCCC[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
InChIInChI=1S/C31H78O14Si7/c1-17-41-42-24-19-18-20-28-52(43-46(11,12)25-21-29-49(32-2,33-3)34-4,44-47(13,14)26-22-30-50(35-5,36-6)37-7)45-48(15,16)27-23-31-51(38-8,39-9)40-10/h17-31H2,1-16H3
InChIKeyNHDSYDOUTNGZBU-UHFFFAOYSA-N
MW871.55 g/mol
LogP7.53
Rot. Bonds35

About tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane

tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane (PubChem CID 170541723) has the molecular formula C31H78O14Si7 and a molecular weight of 871.55 g/mol. Its IUPAC name is tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane.

Molecular Properties

Compound Nametris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane
PubChem CID170541723
Molecular FormulaC31H78O14Si7
Molecular Weight871.55 g/mol
Exact Mass870.38
IUPAC Nametris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane
SMILESCCOOCCCCC[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
InChIInChI=1S/C31H78O14Si7/c1-17-41-42-24-19-18-20-28-52(43-46(11,12)25-21-29-49(32-2,33-3)34-4,44-47(13,14)26-22-30-50(35-5,36-6)37-7)45-48(15,16)27-23-31-51(38-8,39-9)40-10/h17-31H2,1-16H3
InChIKeyNHDSYDOUTNGZBU-UHFFFAOYSA-N
XLogP7.53
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.55
LogP ≤ 57.53
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

[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-(11-ethylperoxyundecyl)-dimethoxysilane
CID 170541717
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
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
CID 155643997
trimethoxy(11-methylperoxyundecyl)silane
CID 155643983
[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane
CID 59027325
butyl-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilane
CID 59431043
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
CID 175038998
trimethoxy-[11-(2-methoxyethoxy)undecyl]silane
CID 88574364
tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate
CID 59593661

Frequently Asked Questions

What is the IUPAC name of tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane?
The IUPAC name of tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane (CID 170541723) is tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane.
What is the SMILES notation for tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane?
The canonical SMILES for tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane is CCOOCCCCC[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.
What is the InChIKey of tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane?
The InChIKey is NHDSYDOUTNGZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H78O14Si7/c1-17-41-42-24-19-18-20-28-52(43-46(11,12)25-21-29-49(32-2,33-3)34-4,44-47(13,14)26-22-30-50(35-5,36-6)37-7)45-48(15,16)27-23-31-51(38-8,39-9)40-10/h17-31H2,1-16H3.
What are the key properties of tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane?
tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-(5-ethylperoxypentyl)silane has a molecular weight of 871.55 g/mol, XLogP of 7.53, 35 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]-(5-ethylperoxypentyl)silane is sourced from PubChem (CID 170541723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).