[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane

C22H54O7Si4 — CID 123296644

IUPAC[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane
SMILESCO[SiH](CCCCCC(CCCCC[SiH](OC)OC)(CCCCC[SiH](OC)OC)O[SiH3])OC
InChIInChI=1S/C22H54O7Si4/c1-23-31(24-2)19-13-7-10-16-22(29-30,17-11-8-14-20-32(25-3)26-4)18-12-9-15-21-33(27-5)28-6/h31-33H,7-21H2,1-6,30H3
InChIKeyOEIRFOJMOBUDPB-UHFFFAOYSA-N
MW543.01 g/mol
LogP3.24
Rot. Bonds25

About [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane

[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane (PubChem CID 123296644) has the molecular formula C22H54O7Si4 and a molecular weight of 543.01 g/mol. Its IUPAC name is [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane.

Molecular Properties

Compound Name[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane
PubChem CID123296644
Molecular FormulaC22H54O7Si4
Molecular Weight543.01 g/mol
Exact Mass542.29
IUPAC Name[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane
SMILESCO[SiH](CCCCCC(CCCCC[SiH](OC)OC)(CCCCC[SiH](OC)OC)O[SiH3])OC
InChIInChI=1S/C22H54O7Si4/c1-23-31(24-2)19-13-7-10-16-22(29-30,17-11-8-14-20-32(25-3)26-4)18-12-9-15-21-33(27-5)28-6/h31-33H,7-21H2,1-6,30H3
InChIKeyOEIRFOJMOBUDPB-UHFFFAOYSA-N
XLogP3.24
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.01
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane
CID 123733042
tris(5-dimethoxysilylpentyl)silane
CID 123895491
14-tridecyloctacosan-14-yloxysilane
CID 173060340
dimethoxy(nonyl)silane
CID 154057580
heptadecyl(dimethoxy)silane
CID 173012112
docosyl(dimethoxy)silane
CID 150688039
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
hexadec-15-enyl(dimethoxy)silane
CID 172819817
dimethoxy(non-8-enyl)silane
CID 173096526
dimethoxy(pentyl)silane;methanamine
CID 175165037
[7-[dimethoxy(methyl)silyl]-4-[3-[dimethoxy(methyl)silyl]propyl]-4-silyloxyheptyl]-dimethoxy-methylsilane
CID 173168941
4-dimethoxysilyl-N,N-dimethylbutan-1-amine
CID 150995989

Frequently Asked Questions

What is the IUPAC name of [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane?
The IUPAC name of [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane (CID 123296644) is [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane.
What is the SMILES notation for [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane?
The canonical SMILES for [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane is CO[SiH](CCCCCC(CCCCC[SiH](OC)OC)(CCCCC[SiH](OC)OC)O[SiH3])OC.
What is the InChIKey of [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane?
The InChIKey is OEIRFOJMOBUDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H54O7Si4/c1-23-31(24-2)19-13-7-10-16-22(29-30,17-11-8-14-20-32(25-3)26-4)18-12-9-15-21-33(27-5)28-6/h31-33H,7-21H2,1-6,30H3.
What are the key properties of [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane?
[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane has a molecular weight of 543.01 g/mol, XLogP of 3.24, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane is sourced from PubChem (CID 123296644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).