2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane

C20H39NO6Si2 — CID 91699999

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane
SMILESCCCCOCCOCCOCCO[Si](C)(C)O[Si](C)(C)OCc1cccnc1
InChIInChI=1S/C20H39NO6Si2/c1-6-7-11-22-12-13-23-14-15-24-16-17-25-28(2,3)27-29(4,5)26-19-20-9-8-10-21-18-20/h8-10,18H,6-7,11-17,19H2,1-5H3
InChIKeyCGLZSBLWEYZKOS-UHFFFAOYSA-N
MW445.71 g/mol
LogP3.88
Rot. Bonds18

About 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane

2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane (PubChem CID 91699999) has the molecular formula C20H39NO6Si2 and a molecular weight of 445.71 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane
PubChem CID91699999
Molecular FormulaC20H39NO6Si2
Molecular Weight445.71 g/mol
Exact Mass445.23
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane
SMILESCCCCOCCOCCOCCO[Si](C)(C)O[Si](C)(C)OCc1cccnc1
InChIInChI=1S/C20H39NO6Si2/c1-6-7-11-22-12-13-23-14-15-24-16-17-25-28(2,3)27-29(4,5)26-19-20-9-8-10-21-18-20/h8-10,18H,6-7,11-17,19H2,1-5H3
InChIKeyCGLZSBLWEYZKOS-UHFFFAOYSA-N
XLogP3.88
TPSA68.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.71
LogP ≤ 53.88
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

[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-(2-methoxyethoxy)-dimethylsilane
CID 91700183
decoxy-dimethyl-(pyridin-3-ylmethoxy)silane
CID 91700280
2-(2-methoxyethoxy)ethoxy-dimethyl-(pyridin-3-ylmethoxy)silane
CID 91700003
[dimethyl(octan-2-yloxy)silyl]oxy-dimethyl-(pyridin-3-ylmethoxy)silane
CID 91700248
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
methyl 2-[[[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyacetate
CID 91700235
hexan-3-yloxy-dimethyl-(pyridin-3-ylmethoxy)silane
CID 91735913
2-butoxyethoxy-dimethyl-(2-propoxyethoxy)silane
CID 91522026
2-bicyclo[2.2.1]heptanylmethoxy-dimethyl-(pyridin-3-ylmethoxy)silane
CID 91700217
butoxy-dimethyl-[(4-phenoxyphenyl)methoxy]silane
CID 91742927
N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine
CID 3025101

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane (CID 91699999) is 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane is CCCCOCCOCCOCCO[Si](C)(C)O[Si](C)(C)OCc1cccnc1.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane?
The InChIKey is CGLZSBLWEYZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO6Si2/c1-6-7-11-22-12-13-23-14-15-24-16-17-25-28(2,3)27-29(4,5)26-19-20-9-8-10-21-18-20/h8-10,18H,6-7,11-17,19H2,1-5H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane?
2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane has a molecular weight of 445.71 g/mol, XLogP of 3.88, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethoxy-[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91699999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).