diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane

C30H50O2Si — CID 91717644

IUPACdiethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane
SMILESCCCCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C30H50O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25-31-33(5-2,6-3)32-27-28-23-24-29-21-18-19-22-30(29)26-28/h18-19,21-24,26H,4-17,20,25,27H2,1-3H3
InChIKeyTWDSCRVEGVZSAO-UHFFFAOYSA-N
MW470.81 g/mol
LogP9.95
Rot. Bonds20

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

diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane (PubChem CID 91717644) has the molecular formula C30H50O2Si and a molecular weight of 470.81 g/mol. Its IUPAC name is diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane.

Molecular Properties

Compound Namediethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane
PubChem CID91717644
Molecular FormulaC30H50O2Si
Molecular Weight470.81 g/mol
Exact Mass470.36
IUPAC Namediethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane
SMILESCCCCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C30H50O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25-31-33(5-2,6-3)32-27-28-23-24-29-21-18-19-22-30(29)26-28/h18-19,21-24,26H,4-17,20,25,27H2,1-3H3
InChIKeyTWDSCRVEGVZSAO-UHFFFAOYSA-N
XLogP9.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.81
LogP ≤ 59.95
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)-pentadecoxysilane?
The IUPAC name of diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane (CID 91717644) is diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane.
What is the SMILES notation for diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane?
The canonical SMILES for diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane is CCCCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1.
What is the InChIKey of diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane?
The InChIKey is TWDSCRVEGVZSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25-31-33(5-2,6-3)32-27-28-23-24-29-21-18-19-22-30(29)26-28/h18-19,21-24,26H,4-17,20,25,27H2,1-3H3.
What are the key properties of diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane?
diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane has a molecular weight of 470.81 g/mol, XLogP of 9.95, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(naphthalen-2-ylmethoxy)-pentadecoxysilane is sourced from PubChem (CID 91717644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).