diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane

C28H46O2Si — CID 91717642

IUPACdiethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C28H46O2Si/c1-4-7-8-9-10-11-12-13-14-15-18-23-29-31(5-2,6-3)30-25-26-21-22-27-19-16-17-20-28(27)24-26/h16-17,19-22,24H,4-15,18,23,25H2,1-3H3
InChIKeyGORJTUFHEZWJCS-UHFFFAOYSA-N
MW442.76 g/mol
LogP9.17
Rot. Bonds18

About diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane

diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane (PubChem CID 91717642) has the molecular formula C28H46O2Si and a molecular weight of 442.76 g/mol. Its IUPAC name is diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane.

Molecular Properties

Compound Namediethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane
PubChem CID91717642
Molecular FormulaC28H46O2Si
Molecular Weight442.76 g/mol
Exact Mass442.33
IUPAC Namediethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C28H46O2Si/c1-4-7-8-9-10-11-12-13-14-15-18-23-29-31(5-2,6-3)30-25-26-21-22-27-19-16-17-20-28(27)24-26/h16-17,19-22,24H,4-15,18,23,25H2,1-3H3
InChIKeyGORJTUFHEZWJCS-UHFFFAOYSA-N
XLogP9.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.76
LogP ≤ 59.17
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-(naphthalen-2-ylmethoxy)-tridecoxysilane?
The IUPAC name of diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane (CID 91717642) is diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane.
What is the SMILES notation for diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane?
The canonical SMILES for diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane is CCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1.
What is the InChIKey of diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane?
The InChIKey is GORJTUFHEZWJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O2Si/c1-4-7-8-9-10-11-12-13-14-15-18-23-29-31(5-2,6-3)30-25-26-21-22-27-19-16-17-20-28(27)24-26/h16-17,19-22,24H,4-15,18,23,25H2,1-3H3.
What are the key properties of diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane?
diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane has a molecular weight of 442.76 g/mol, XLogP of 9.17, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(naphthalen-2-ylmethoxy)-tridecoxysilane is sourced from PubChem (CID 91717642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).