diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane

C36H36O3Si — CID 154404319

IUPACdiethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane
SMILESCCO[SiH](OCC)OC(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H36O3Si/c1-3-37-40(38-4-2)39-36(33-26-16-8-17-27-33,34-28-18-9-19-29-34)35(30-20-10-5-11-21-30,31-22-12-6-13-23-31)32-24-14-7-15-25-32/h5-29,40H,3-4H2,1-2H3
InChIKeyMROSPOZOSVKKSJ-UHFFFAOYSA-N
MW544.77 g/mol
LogP7.77
Rot. Bonds12

About diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane

diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane (PubChem CID 154404319) has the molecular formula C36H36O3Si and a molecular weight of 544.77 g/mol. Its IUPAC name is diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane.

Molecular Properties

Compound Namediethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane
PubChem CID154404319
Molecular FormulaC36H36O3Si
Molecular Weight544.77 g/mol
Exact Mass544.24
IUPAC Namediethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane
SMILESCCO[SiH](OCC)OC(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H36O3Si/c1-3-37-40(38-4-2)39-36(33-26-16-8-17-27-33,34-28-18-9-19-29-34)35(30-20-10-5-11-21-30,31-22-12-6-13-23-31)32-24-14-7-15-25-32/h5-29,40H,3-4H2,1-2H3
InChIKeyMROSPOZOSVKKSJ-UHFFFAOYSA-N
XLogP7.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.77
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

naphthalene;triethoxysilane
CID 159949202
ethoxy(diphenoxy)silane
CID 123575589
(2-dimethylsilyloxy-1,1,2,2-tetraphenylethoxy)-dimethylsilane
CID 71334516
ethyl(diphenyl)phosphane;triethoxysilane
CID 161086749
N,N-diethylaniline;triethoxysilane
CID 173388363
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
cyclobutylbenzene;triethoxysilane
CID 174943415
1-[diethoxy(phenyl)methyl]-4-methylbenzene
CID 13274602
ethoxyethane;triphenylmethanol
CID 70428584
CID 19591298
CID 19591298
1,1-diphenylpropoxysilane
CID 123474464
3-phenylazetidine;triethoxysilane
CID 173466257

Frequently Asked Questions

What is the IUPAC name of diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane?
The IUPAC name of diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane (CID 154404319) is diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane.
What is the SMILES notation for diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane?
The canonical SMILES for diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane is CCO[SiH](OCC)OC(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane?
The InChIKey is MROSPOZOSVKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O3Si/c1-3-37-40(38-4-2)39-36(33-26-16-8-17-27-33,34-28-18-9-19-29-34)35(30-20-10-5-11-21-30,31-22-12-6-13-23-31)32-24-14-7-15-25-32/h5-29,40H,3-4H2,1-2H3.
What are the key properties of diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane?
diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane has a molecular weight of 544.77 g/mol, XLogP of 7.77, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(1,1,2,2,2-pentakis-phenylethoxy)silane is sourced from PubChem (CID 154404319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).