bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane

C22H56O8Si5 — CID 123232485

IUPACbis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane
SMILESCCO[Si](CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H56O8Si5/c1-13-23-34(24-14-2,25-15-3)21-19-31(7,8)29-33(11,12)30-32(9,10)20-22-35(26-16-4,27-17-5)28-18-6/h13-22H2,1-12H3
InChIKeyDJLKAAULCFTONB-UHFFFAOYSA-N
MW589.11 g/mol
LogP6.23
Rot. Bonds22

About bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane

bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane (PubChem CID 123232485) has the molecular formula C22H56O8Si5 and a molecular weight of 589.11 g/mol. Its IUPAC name is bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane.

Molecular Properties

Compound Namebis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane
PubChem CID123232485
Molecular FormulaC22H56O8Si5
Molecular Weight589.11 g/mol
Exact Mass588.28
IUPAC Namebis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane
SMILESCCO[Si](CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H56O8Si5/c1-13-23-34(24-14-2,25-15-3)21-19-31(7,8)29-33(11,12)30-32(9,10)20-22-35(26-16-4,27-17-5)28-18-6/h13-22H2,1-12H3
InChIKeyDJLKAAULCFTONB-UHFFFAOYSA-N
XLogP6.23
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.11
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane?
The IUPAC name of bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane (CID 123232485) is bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane.
What is the SMILES notation for bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane?
The canonical SMILES for bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane is CCO[Si](CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane?
The InChIKey is DJLKAAULCFTONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H56O8Si5/c1-13-23-34(24-14-2,25-15-3)21-19-31(7,8)29-33(11,12)30-32(9,10)20-22-35(26-16-4,27-17-5)28-18-6/h13-22H2,1-12H3.
What are the key properties of bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane?
bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane has a molecular weight of 589.11 g/mol, XLogP of 6.23, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[dimethyl(2-triethoxysilylethyl)silyl]oxy]-dimethylsilane is sourced from PubChem (CID 123232485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).