diethyl-bis(naphthalen-2-ylmethoxy)silane

C26H28O2Si — CID 91717581

IUPACdiethyl-bis(naphthalen-2-ylmethoxy)silane
SMILESCC[Si](CC)(OCc1ccc2ccccc2c1)OCc1ccc2ccccc2c1
InChIInChI=1S/C26H28O2Si/c1-3-29(4-2,27-19-21-13-15-23-9-5-7-11-25(23)17-21)28-20-22-14-16-24-10-6-8-12-26(24)18-22/h5-18H,3-4,19-20H2,1-2H3
InChIKeyAGTCOZQCUHBBEH-UHFFFAOYSA-N
MW400.59 g/mol
LogP7.21
Rot. Bonds8

About diethyl-bis(naphthalen-2-ylmethoxy)silane

diethyl-bis(naphthalen-2-ylmethoxy)silane (PubChem CID 91717581) has the molecular formula C26H28O2Si and a molecular weight of 400.59 g/mol. Its IUPAC name is diethyl-bis(naphthalen-2-ylmethoxy)silane.

Molecular Properties

Compound Namediethyl-bis(naphthalen-2-ylmethoxy)silane
PubChem CID91717581
Molecular FormulaC26H28O2Si
Molecular Weight400.59 g/mol
Exact Mass400.19
IUPAC Namediethyl-bis(naphthalen-2-ylmethoxy)silane
SMILESCC[Si](CC)(OCc1ccc2ccccc2c1)OCc1ccc2ccccc2c1
InChIInChI=1S/C26H28O2Si/c1-3-29(4-2,27-19-21-13-15-23-9-5-7-11-25(23)17-21)28-20-22-14-16-24-10-6-8-12-26(24)18-22/h5-18H,3-4,19-20H2,1-2H3
InChIKeyAGTCOZQCUHBBEH-UHFFFAOYSA-N
XLogP7.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-bis(naphthalen-2-ylmethoxy)silane?
The IUPAC name of diethyl-bis(naphthalen-2-ylmethoxy)silane (CID 91717581) is diethyl-bis(naphthalen-2-ylmethoxy)silane.
What is the SMILES notation for diethyl-bis(naphthalen-2-ylmethoxy)silane?
The canonical SMILES for diethyl-bis(naphthalen-2-ylmethoxy)silane is CC[Si](CC)(OCc1ccc2ccccc2c1)OCc1ccc2ccccc2c1.
What is the InChIKey of diethyl-bis(naphthalen-2-ylmethoxy)silane?
The InChIKey is AGTCOZQCUHBBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2Si/c1-3-29(4-2,27-19-21-13-15-23-9-5-7-11-25(23)17-21)28-20-22-14-16-24-10-6-8-12-26(24)18-22/h5-18H,3-4,19-20H2,1-2H3.
What are the key properties of diethyl-bis(naphthalen-2-ylmethoxy)silane?
diethyl-bis(naphthalen-2-ylmethoxy)silane has a molecular weight of 400.59 g/mol, XLogP of 7.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(naphthalen-2-ylmethoxy)silane is sourced from PubChem (CID 91717581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).