diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane

C26H42O2Si — CID 91717637

IUPACdiethyl-(naphthalen-2-ylmethoxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C26H42O2Si/c1-4-7-8-9-10-11-12-13-16-21-27-29(5-2,6-3)28-23-24-19-20-25-17-14-15-18-26(25)22-24/h14-15,17-20,22H,4-13,16,21,23H2,1-3H3
InChIKeyUTTYOOXOBLSKAJ-UHFFFAOYSA-N
MW414.71 g/mol
LogP8.39
Rot. Bonds16

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

diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane (PubChem CID 91717637) has the molecular formula C26H42O2Si and a molecular weight of 414.71 g/mol. Its IUPAC name is diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane.

Molecular Properties

Compound Namediethyl-(naphthalen-2-ylmethoxy)-undecoxysilane
PubChem CID91717637
Molecular FormulaC26H42O2Si
Molecular Weight414.71 g/mol
Exact Mass414.30
IUPAC Namediethyl-(naphthalen-2-ylmethoxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C26H42O2Si/c1-4-7-8-9-10-11-12-13-16-21-27-29(5-2,6-3)28-23-24-19-20-25-17-14-15-18-26(25)22-24/h14-15,17-20,22H,4-13,16,21,23H2,1-3H3
InChIKeyUTTYOOXOBLSKAJ-UHFFFAOYSA-N
XLogP8.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.71
LogP ≤ 58.39
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)-undecoxysilane?
The IUPAC name of diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane (CID 91717637) is diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane.
What is the SMILES notation for diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane?
The canonical SMILES for diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane is CCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1.
What is the InChIKey of diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane?
The InChIKey is UTTYOOXOBLSKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2Si/c1-4-7-8-9-10-11-12-13-16-21-27-29(5-2,6-3)28-23-24-19-20-25-17-14-15-18-26(25)22-24/h14-15,17-20,22H,4-13,16,21,23H2,1-3H3.
What are the key properties of diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane?
diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane has a molecular weight of 414.71 g/mol, XLogP of 8.39, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(naphthalen-2-ylmethoxy)-undecoxysilane is sourced from PubChem (CID 91717637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).