hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane

C39H40O4Si4 — CID 139767845

IUPAChydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane
SMILESC[Si](O)(O[Si](C)(O[Si](C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C39H40O4Si4/c1-44(40,34-22-10-4-11-23-34)41-45(2,35-24-12-5-13-25-35)42-46(3,36-26-14-6-15-27-36)43-47(37-28-16-7-17-29-37,38-30-18-8-19-31-38)39-32-20-9-21-33-39/h4-33,40H,1-3H3
InChIKeyUAASVLJXNQUMRS-UHFFFAOYSA-N
MW685.09 g/mol
LogP4.63
Rot. Bonds12

About hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane

hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane (PubChem CID 139767845) has the molecular formula C39H40O4Si4 and a molecular weight of 685.09 g/mol. Its IUPAC name is hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane.

Molecular Properties

Compound Namehydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane
PubChem CID139767845
Molecular FormulaC39H40O4Si4
Molecular Weight685.09 g/mol
Exact Mass684.20
IUPAC Namehydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane
SMILESC[Si](O)(O[Si](C)(O[Si](C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C39H40O4Si4/c1-44(40,34-22-10-4-11-23-34)41-45(2,35-24-12-5-13-25-35)42-46(3,36-26-14-6-15-27-36)43-47(37-28-16-7-17-29-37,38-30-18-8-19-31-38)39-32-20-9-21-33-39/h4-33,40H,1-3H3
InChIKeyUAASVLJXNQUMRS-UHFFFAOYSA-N
XLogP4.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500685.09
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

bis[[(dimethylsilyloxy-methyl-phenylsilyl)oxy-methyl-phenylsilyl]oxy]-methyl-phenylsilane
CID 58231824
2-[dimethyl(triphenylsilyloxy)silyl]ethyl-dimethyl-triphenylsilyloxysilane
CID 140828433
bis[[dimethoxy(phenyl)silyl]oxy]-methyl-phenylsilane
CID 90381313
[diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane
CID 151212547
chloro-dimethyl-phenylsilane;dimethyl-phenyl-triphenylsilyloxysilane;hydroxy(triphenyl)silane
CID 158640447
[diphenyl(triphenylsilyloxy)silyl]oxy-[[[[[[diphenyl(triphenylsilyloxy)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilane
CID 139707283
bis[[diethoxy(methyl)silyl]oxy]-methyl-phenylsilane
CID 141467412
CID 22292244
CID 22292244
[diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane
CID 18323248
[dimethyl(phenyl)silyl]oxy-dimethyl-phenylsilane;hydroxy(triphenyl)silane
CID 174793025
chloro(trimethyl)silane;hydroxy(triphenyl)silane;trimethyl(trimethylsilylmethyl)silane;trimethyl(triphenylsilyloxy)silane
CID 160759459
(E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid
CID 87574675

Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane?
The IUPAC name of hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane (CID 139767845) is hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane.
What is the SMILES notation for hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane?
The canonical SMILES for hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane is C[Si](O)(O[Si](C)(O[Si](C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane?
The InChIKey is UAASVLJXNQUMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40O4Si4/c1-44(40,34-22-10-4-11-23-34)41-45(2,35-24-12-5-13-25-35)42-46(3,36-26-14-6-15-27-36)43-47(37-28-16-7-17-29-37,38-30-18-8-19-31-38)39-32-20-9-21-33-39/h4-33,40H,1-3H3.
What are the key properties of hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane?
hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane has a molecular weight of 685.09 g/mol, XLogP of 4.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane is sourced from PubChem (CID 139767845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).