bis(3-methylphenoxy)-diphenylsilane

C26H24O2Si — CID 6426529

IUPACbis(3-methylphenoxy)-diphenylsilane
SMILESCc1cccc(O[Si](Oc2cccc(C)c2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H24O2Si/c1-21-11-9-13-23(19-21)27-29(25-15-5-3-6-16-25,26-17-7-4-8-18-26)28-24-14-10-12-22(2)20-24/h3-20H,1-2H3
InChIKeyQWFWDTIECQGHNZ-UHFFFAOYSA-N
MW396.56 g/mol
LogP5.02
Rot. Bonds6

About bis(3-methylphenoxy)-diphenylsilane

bis(3-methylphenoxy)-diphenylsilane (PubChem CID 6426529) has the molecular formula C26H24O2Si and a molecular weight of 396.56 g/mol. Its IUPAC name is bis(3-methylphenoxy)-diphenylsilane.

Molecular Properties

Compound Namebis(3-methylphenoxy)-diphenylsilane
PubChem CID6426529
Molecular FormulaC26H24O2Si
Molecular Weight396.56 g/mol
Exact Mass396.15
IUPAC Namebis(3-methylphenoxy)-diphenylsilane
SMILESCc1cccc(O[Si](Oc2cccc(C)c2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H24O2Si/c1-21-11-9-13-23(19-21)27-29(25-15-5-3-6-16-25,26-17-7-4-8-18-26)28-24-14-10-12-22(2)20-24/h3-20H,1-2H3
InChIKeyQWFWDTIECQGHNZ-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.02
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 bis(3-methylphenoxy)-diphenylsilane?
The IUPAC name of bis(3-methylphenoxy)-diphenylsilane (CID 6426529) is bis(3-methylphenoxy)-diphenylsilane.
What is the SMILES notation for bis(3-methylphenoxy)-diphenylsilane?
The canonical SMILES for bis(3-methylphenoxy)-diphenylsilane is Cc1cccc(O[Si](Oc2cccc(C)c2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of bis(3-methylphenoxy)-diphenylsilane?
The InChIKey is QWFWDTIECQGHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2Si/c1-21-11-9-13-23(19-21)27-29(25-15-5-3-6-16-25,26-17-7-4-8-18-26)28-24-14-10-12-22(2)20-24/h3-20H,1-2H3.
What are the key properties of bis(3-methylphenoxy)-diphenylsilane?
bis(3-methylphenoxy)-diphenylsilane has a molecular weight of 396.56 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenoxy)-diphenylsilane is sourced from PubChem (CID 6426529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).