bis(4-docosoxyphenyl)-dihydroxysilane

C56H100O4Si — CID 69138050

IUPACbis(4-docosoxyphenyl)-dihydroxysilane
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1ccc([Si](O)(O)c2ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C56H100O4Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-51-59-53-43-47-55(48-44-53)61(57,58)56-49-45-54(46-50-56)60-52-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-50,57-58H,3-42,51-52H2,1-2H3
InChIKeyFTIBXWORJHOZGN-UHFFFAOYSA-N
MW865.50 g/mol
LogP16.63
Rot. Bonds46

About bis(4-docosoxyphenyl)-dihydroxysilane

bis(4-docosoxyphenyl)-dihydroxysilane (PubChem CID 69138050) has the molecular formula C56H100O4Si and a molecular weight of 865.50 g/mol. Its IUPAC name is bis(4-docosoxyphenyl)-dihydroxysilane.

Molecular Properties

Compound Namebis(4-docosoxyphenyl)-dihydroxysilane
PubChem CID69138050
Molecular FormulaC56H100O4Si
Molecular Weight865.50 g/mol
Exact Mass864.74
IUPAC Namebis(4-docosoxyphenyl)-dihydroxysilane
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1ccc([Si](O)(O)c2ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C56H100O4Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-51-59-53-43-47-55(48-44-53)61(57,58)56-49-45-54(46-50-56)60-52-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-50,57-58H,3-42,51-52H2,1-2H3
InChIKeyFTIBXWORJHOZGN-UHFFFAOYSA-N
XLogP16.63
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds46
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.50
LogP ≤ 516.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
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N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623
4-octadecoxyphenol
CID 22179059
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
(4-butoxyphenyl)-dichloro-hexylsilane
CID 139899604
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-dodecoxy-4-[2-(4-dodecoxyphenyl)ethynyl]benzene
CID 11827720
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959

Frequently Asked Questions

What is the IUPAC name of bis(4-docosoxyphenyl)-dihydroxysilane?
The IUPAC name of bis(4-docosoxyphenyl)-dihydroxysilane (CID 69138050) is bis(4-docosoxyphenyl)-dihydroxysilane.
What is the SMILES notation for bis(4-docosoxyphenyl)-dihydroxysilane?
The canonical SMILES for bis(4-docosoxyphenyl)-dihydroxysilane is CCCCCCCCCCCCCCCCCCCCCCOc1ccc([Si](O)(O)c2ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of bis(4-docosoxyphenyl)-dihydroxysilane?
The InChIKey is FTIBXWORJHOZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H100O4Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-51-59-53-43-47-55(48-44-53)61(57,58)56-49-45-54(46-50-56)60-52-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-50,57-58H,3-42,51-52H2,1-2H3.
What are the key properties of bis(4-docosoxyphenyl)-dihydroxysilane?
bis(4-docosoxyphenyl)-dihydroxysilane has a molecular weight of 865.50 g/mol, XLogP of 16.63, 46 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-docosoxyphenyl)-dihydroxysilane is sourced from PubChem (CID 69138050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).