diethyl-(4-phenylphenoxy)-tetradecoxysilane

C30H48O2Si — CID 91745629

IUPACdiethyl-(4-phenylphenoxy)-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H48O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-20-27-31-33(5-2,6-3)32-30-25-23-29(24-26-30)28-21-18-17-19-22-28/h17-19,21-26H,4-16,20,27H2,1-3H3
InChIKeyNDZINRSVFQEXOL-UHFFFAOYSA-N
MW468.80 g/mol
LogP9.93
Rot. Bonds19

About diethyl-(4-phenylphenoxy)-tetradecoxysilane

diethyl-(4-phenylphenoxy)-tetradecoxysilane (PubChem CID 91745629) has the molecular formula C30H48O2Si and a molecular weight of 468.80 g/mol. Its IUPAC name is diethyl-(4-phenylphenoxy)-tetradecoxysilane.

Molecular Properties

Compound Namediethyl-(4-phenylphenoxy)-tetradecoxysilane
PubChem CID91745629
Molecular FormulaC30H48O2Si
Molecular Weight468.80 g/mol
Exact Mass468.34
IUPAC Namediethyl-(4-phenylphenoxy)-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H48O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-20-27-31-33(5-2,6-3)32-30-25-23-29(24-26-30)28-21-18-17-19-22-28/h17-19,21-26H,4-16,20,27H2,1-3H3
InChIKeyNDZINRSVFQEXOL-UHFFFAOYSA-N
XLogP9.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.80
LogP ≤ 59.93
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)-tetradecoxysilane?
The IUPAC name of diethyl-(4-phenylphenoxy)-tetradecoxysilane (CID 91745629) is diethyl-(4-phenylphenoxy)-tetradecoxysilane.
What is the SMILES notation for diethyl-(4-phenylphenoxy)-tetradecoxysilane?
The canonical SMILES for diethyl-(4-phenylphenoxy)-tetradecoxysilane is CCCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of diethyl-(4-phenylphenoxy)-tetradecoxysilane?
The InChIKey is NDZINRSVFQEXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-20-27-31-33(5-2,6-3)32-30-25-23-29(24-26-30)28-21-18-17-19-22-28/h17-19,21-26H,4-16,20,27H2,1-3H3.
What are the key properties of diethyl-(4-phenylphenoxy)-tetradecoxysilane?
diethyl-(4-phenylphenoxy)-tetradecoxysilane has a molecular weight of 468.80 g/mol, XLogP of 9.93, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-phenylphenoxy)-tetradecoxysilane is sourced from PubChem (CID 91745629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).