octaphenyltetrasiloxane

C48H40O3Si4 — CID 22722299

IUPAC—
SMILESc1ccc([Si]O[Si](O[Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40O3Si4/c1-9-25-41(26-10-1)52-49-54(45-33-17-5-18-34-45,46-35-19-6-20-36-46)51-55(47-37-21-7-22-38-47,48-39-23-8-24-40-48)50-53(42-27-11-2-12-28-42,43-29-13-3-14-30-43)44-31-15-4-16-32-44/h1-40H
InChIKeyJLDBTILIOCQIMP-UHFFFAOYSA-N
MW777.19 g/mol
LogP5.16
Rot. Bonds14

About octaphenyltetrasiloxane

octaphenyltetrasiloxane (PubChem CID 22722299) has the molecular formula C48H40O3Si4 and a molecular weight of 777.19 g/mol.

Molecular Properties

Compound Nameoctaphenyltetrasiloxane
PubChem CID22722299
Molecular FormulaC48H40O3Si4
Molecular Weight777.19 g/mol
Exact Mass776.21
IUPAC Name—
SMILESc1ccc([Si]O[Si](O[Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40O3Si4/c1-9-25-41(26-10-1)52-49-54(45-33-17-5-18-34-45,46-35-19-6-20-36-46)51-55(47-37-21-7-22-38-47,48-39-23-8-24-40-48)50-53(42-27-11-2-12-28-42,43-29-13-3-14-30-43)44-31-15-4-16-32-44/h1-40H
InChIKeyJLDBTILIOCQIMP-UHFFFAOYSA-N
XLogP5.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.19
LogP ≤ 55.16
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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Frequently Asked Questions

What is the IUPAC name of octaphenyltetrasiloxane?
The IUPAC name of octaphenyltetrasiloxane (CID 22722299) is not available.
What is the SMILES notation for octaphenyltetrasiloxane?
The canonical SMILES for octaphenyltetrasiloxane is c1ccc([Si]O[Si](O[Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of octaphenyltetrasiloxane?
The InChIKey is JLDBTILIOCQIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40O3Si4/c1-9-25-41(26-10-1)52-49-54(45-33-17-5-18-34-45,46-35-19-6-20-36-46)51-55(47-37-21-7-22-38-47,48-39-23-8-24-40-48)50-53(42-27-11-2-12-28-42,43-29-13-3-14-30-43)44-31-15-4-16-32-44/h1-40H.
What are the key properties of octaphenyltetrasiloxane?
octaphenyltetrasiloxane has a molecular weight of 777.19 g/mol, XLogP of 5.16, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octaphenyltetrasiloxane is sourced from PubChem (CID 22722299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).