dibenzyl(diphenoxy)silane

C26H24O2Si — CID 58097770

IUPACdibenzyl(diphenoxy)silane
SMILESc1ccc(C[Si](Cc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C26H24O2Si/c1-5-13-23(14-6-1)21-29(22-24-15-7-2-8-16-24,27-25-17-9-3-10-18-25)28-26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyCANBAFCCKLVGOF-UHFFFAOYSA-N
MW396.56 g/mol
LogP6.15
Rot. Bonds8

About dibenzyl(diphenoxy)silane

dibenzyl(diphenoxy)silane (PubChem CID 58097770) has the molecular formula C26H24O2Si and a molecular weight of 396.56 g/mol. Its IUPAC name is dibenzyl(diphenoxy)silane.

Molecular Properties

Compound Namedibenzyl(diphenoxy)silane
PubChem CID58097770
Molecular FormulaC26H24O2Si
Molecular Weight396.56 g/mol
Exact Mass396.15
IUPAC Namedibenzyl(diphenoxy)silane
SMILESc1ccc(C[Si](Cc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C26H24O2Si/c1-5-13-23(14-6-1)21-29(22-24-15-7-2-8-16-24,27-25-17-9-3-10-18-25)28-26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyCANBAFCCKLVGOF-UHFFFAOYSA-N
XLogP6.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dibenzyl(diphenoxy)silane?
The IUPAC name of dibenzyl(diphenoxy)silane (CID 58097770) is dibenzyl(diphenoxy)silane.
What is the SMILES notation for dibenzyl(diphenoxy)silane?
The canonical SMILES for dibenzyl(diphenoxy)silane is c1ccc(C[Si](Cc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of dibenzyl(diphenoxy)silane?
The InChIKey is CANBAFCCKLVGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2Si/c1-5-13-23(14-6-1)21-29(22-24-15-7-2-8-16-24,27-25-17-9-3-10-18-25)28-26-19-11-4-12-20-26/h1-20H,21-22H2.
What are the key properties of dibenzyl(diphenoxy)silane?
dibenzyl(diphenoxy)silane has a molecular weight of 396.56 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(diphenoxy)silane is sourced from PubChem (CID 58097770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).