diethyl-(4-phenylphenoxy)-tridecoxysilane

C29H46O2Si — CID 91745517

IUPACdiethyl-(4-phenylphenoxy)-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H46O2Si/c1-4-7-8-9-10-11-12-13-14-15-19-26-30-32(5-2,6-3)31-29-24-22-28(23-25-29)27-20-17-16-18-21-27/h16-18,20-25H,4-15,19,26H2,1-3H3
InChIKeyTVMQHYACVDHXQC-UHFFFAOYSA-N
MW454.77 g/mol
LogP9.54
Rot. Bonds18

About diethyl-(4-phenylphenoxy)-tridecoxysilane

diethyl-(4-phenylphenoxy)-tridecoxysilane (PubChem CID 91745517) has the molecular formula C29H46O2Si and a molecular weight of 454.77 g/mol. Its IUPAC name is diethyl-(4-phenylphenoxy)-tridecoxysilane.

Molecular Properties

Compound Namediethyl-(4-phenylphenoxy)-tridecoxysilane
PubChem CID91745517
Molecular FormulaC29H46O2Si
Molecular Weight454.77 g/mol
Exact Mass454.33
IUPAC Namediethyl-(4-phenylphenoxy)-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H46O2Si/c1-4-7-8-9-10-11-12-13-14-15-19-26-30-32(5-2,6-3)31-29-24-22-28(23-25-29)27-20-17-16-18-21-27/h16-18,20-25H,4-15,19,26H2,1-3H3
InChIKeyTVMQHYACVDHXQC-UHFFFAOYSA-N
XLogP9.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.77
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-(4-phenylphenoxy)-tridecoxysilane?
The IUPAC name of diethyl-(4-phenylphenoxy)-tridecoxysilane (CID 91745517) is diethyl-(4-phenylphenoxy)-tridecoxysilane.
What is the SMILES notation for diethyl-(4-phenylphenoxy)-tridecoxysilane?
The canonical SMILES for diethyl-(4-phenylphenoxy)-tridecoxysilane is CCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of diethyl-(4-phenylphenoxy)-tridecoxysilane?
The InChIKey is TVMQHYACVDHXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46O2Si/c1-4-7-8-9-10-11-12-13-14-15-19-26-30-32(5-2,6-3)31-29-24-22-28(23-25-29)27-20-17-16-18-21-27/h16-18,20-25H,4-15,19,26H2,1-3H3.
What are the key properties of diethyl-(4-phenylphenoxy)-tridecoxysilane?
diethyl-(4-phenylphenoxy)-tridecoxysilane has a molecular weight of 454.77 g/mol, XLogP of 9.54, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-phenylphenoxy)-tridecoxysilane is sourced from PubChem (CID 91745517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).