bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane

C30H36O4Si3 — CID 140853211

IUPACbis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](O[Si](C)(C)C)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H36O4Si3/c1-35(2,3)33-37(34-36(4,5)6,29-21-17-27(18-22-29)31-25-13-9-7-10-14-25)30-23-19-28(20-24-30)32-26-15-11-8-12-16-26/h7-24H,1-6H3
InChIKeyFPJVMVFWRCZFOA-UHFFFAOYSA-N
MW544.87 g/mol
LogP7.53
Rot. Bonds10

About bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane

bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane (PubChem CID 140853211) has the molecular formula C30H36O4Si3 and a molecular weight of 544.87 g/mol. Its IUPAC name is bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane.

Molecular Properties

Compound Namebis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane
PubChem CID140853211
Molecular FormulaC30H36O4Si3
Molecular Weight544.87 g/mol
Exact Mass544.19
IUPAC Namebis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](O[Si](C)(C)C)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H36O4Si3/c1-35(2,3)33-37(34-36(4,5)6,29-21-17-27(18-22-29)31-25-13-9-7-10-14-25)30-23-19-28(20-24-30)32-26-15-11-8-12-16-26/h7-24H,1-6H3
InChIKeyFPJVMVFWRCZFOA-UHFFFAOYSA-N
XLogP7.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.87
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane?
The IUPAC name of bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane (CID 140853211) is bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane.
What is the SMILES notation for bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane?
The canonical SMILES for bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane is C[Si](C)(C)O[Si](O[Si](C)(C)C)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane?
The InChIKey is FPJVMVFWRCZFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O4Si3/c1-35(2,3)33-37(34-36(4,5)6,29-21-17-27(18-22-29)31-25-13-9-7-10-14-25)30-23-19-28(20-24-30)32-26-15-11-8-12-16-26/h7-24H,1-6H3.
What are the key properties of bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane?
bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane has a molecular weight of 544.87 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-phenoxyphenyl)-bis(trimethylsilyloxy)silane is sourced from PubChem (CID 140853211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).