diethyl-(4-phenylphenoxy)-undecoxysilane

C27H42O2Si — CID 91745166

IUPACdiethyl-(4-phenylphenoxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H42O2Si/c1-4-7-8-9-10-11-12-13-17-24-28-30(5-2,6-3)29-27-22-20-26(21-23-27)25-18-15-14-16-19-25/h14-16,18-23H,4-13,17,24H2,1-3H3
InChIKeyVKMYGNZYRJHHOP-UHFFFAOYSA-N
MW426.72 g/mol
LogP8.76
Rot. Bonds16

About diethyl-(4-phenylphenoxy)-undecoxysilane

diethyl-(4-phenylphenoxy)-undecoxysilane (PubChem CID 91745166) has the molecular formula C27H42O2Si and a molecular weight of 426.72 g/mol. Its IUPAC name is diethyl-(4-phenylphenoxy)-undecoxysilane.

Molecular Properties

Compound Namediethyl-(4-phenylphenoxy)-undecoxysilane
PubChem CID91745166
Molecular FormulaC27H42O2Si
Molecular Weight426.72 g/mol
Exact Mass426.30
IUPAC Namediethyl-(4-phenylphenoxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H42O2Si/c1-4-7-8-9-10-11-12-13-17-24-28-30(5-2,6-3)29-27-22-20-26(21-23-27)25-18-15-14-16-19-25/h14-16,18-23H,4-13,17,24H2,1-3H3
InChIKeyVKMYGNZYRJHHOP-UHFFFAOYSA-N
XLogP8.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.72
LogP ≤ 58.76
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)-undecoxysilane?
The IUPAC name of diethyl-(4-phenylphenoxy)-undecoxysilane (CID 91745166) is diethyl-(4-phenylphenoxy)-undecoxysilane.
What is the SMILES notation for diethyl-(4-phenylphenoxy)-undecoxysilane?
The canonical SMILES for diethyl-(4-phenylphenoxy)-undecoxysilane is CCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of diethyl-(4-phenylphenoxy)-undecoxysilane?
The InChIKey is VKMYGNZYRJHHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O2Si/c1-4-7-8-9-10-11-12-13-17-24-28-30(5-2,6-3)29-27-22-20-26(21-23-27)25-18-15-14-16-19-25/h14-16,18-23H,4-13,17,24H2,1-3H3.
What are the key properties of diethyl-(4-phenylphenoxy)-undecoxysilane?
diethyl-(4-phenylphenoxy)-undecoxysilane has a molecular weight of 426.72 g/mol, XLogP of 8.76, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-phenylphenoxy)-undecoxysilane is sourced from PubChem (CID 91745166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).