disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane

C6H30O7S2Si8 — CID 123666080

IUPACdisilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane
SMILES[SiH3]OO[Si](CCCSSCCC[Si](O[SiH3])(O[SiH3])O[SiH3])(O[SiH3])O[SiH3]
InChIInChI=1S/C6H30O7S2Si8/c16-7-8-22(9-17,10-18)5-1-3-14-15-4-2-6-23(11-19,12-20)13-21/h1-6H2,16-21H3
InChIKeyIPLBGPXVQACUJM-UHFFFAOYSA-N
MW503.12 g/mol
LogP-5.26
Rot. Bonds16

About disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane

disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane (PubChem CID 123666080) has the molecular formula C6H30O7S2Si8 and a molecular weight of 503.12 g/mol. Its IUPAC name is disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane.

Molecular Properties

Compound Namedisilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane
PubChem CID123666080
Molecular FormulaC6H30O7S2Si8
Molecular Weight503.12 g/mol
Exact Mass501.96
IUPAC Namedisilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane
SMILES[SiH3]OO[Si](CCCSSCCC[Si](O[SiH3])(O[SiH3])O[SiH3])(O[SiH3])O[SiH3]
InChIInChI=1S/C6H30O7S2Si8/c16-7-8-22(9-17,10-18)5-1-3-14-15-4-2-6-23(11-19,12-20)13-21/h1-6H2,16-21H3
InChIKeyIPLBGPXVQACUJM-UHFFFAOYSA-N
XLogP-5.26
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.12
LogP ≤ 5-5.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

3-(butyldisulfanyl)propyl-trimethoxysilane
CID 14765024
CID 58741507
CID 58741507
trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane
CID 87873145
trihydroxy-[3-(3-trihydroxysilylpropyldisulfanyl)propyl]silane
CID 156822109
trimethoxy(3-silylsulfanylpropyl)silane
CID 123801748
hydroxy-[3-[3-[hydroxy(dimethoxy)silyl]propyldisulfanyl]propyl]-dimethoxysilane
CID 140958062
trimethoxy-[2-(2-trimethoxysilylethyldisulfanyl)ethyl]silane
CID 23263588
trimethoxy-[3-(phenyldisulfanyl)propyl]silane
CID 14765025
N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide
CID 167424811
triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane
CID 174845742
1-(butyldisulfanyl)butane;copper
CID 159977501
triethoxy-[3-[2-[2-(2-triethoxysilylethyl)-5-[2-(3-triethoxysilylpropyldisulfanyl)ethyl]cyclohexyl]ethyldisulfanyl]propyl]silane
CID 87112069

Frequently Asked Questions

What is the IUPAC name of disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane?
The IUPAC name of disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane (CID 123666080) is disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane.
What is the SMILES notation for disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane?
The canonical SMILES for disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane is [SiH3]OO[Si](CCCSSCCC[Si](O[SiH3])(O[SiH3])O[SiH3])(O[SiH3])O[SiH3].
What is the InChIKey of disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane?
The InChIKey is IPLBGPXVQACUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H30O7S2Si8/c16-7-8-22(9-17,10-18)5-1-3-14-15-4-2-6-23(11-19,12-20)13-21/h1-6H2,16-21H3.
What are the key properties of disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane?
disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane has a molecular weight of 503.12 g/mol, XLogP of -5.26, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disilyloxy-silylperoxy-[3-(3-trisilyloxysilylpropyldisulfanyl)propyl]silane is sourced from PubChem (CID 123666080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).