diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane

C17H30O2Si — CID 91731488

IUPACdiethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane
SMILESCC[Si](CC)(OCC(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C17H30O2Si/c1-7-20(8-2,18-13-14(3)4)19-17-12-10-9-11-16(17)15(5)6/h9-12,14-15H,7-8,13H2,1-6H3
InChIKeyDCWVAZONWWVTNL-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.34
Rot. Bonds8

About diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane

diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane (PubChem CID 91731488) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane.

Molecular Properties

Compound Namediethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane
PubChem CID91731488
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Namediethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane
SMILESCC[Si](CC)(OCC(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C17H30O2Si/c1-7-20(8-2,18-13-14(3)4)19-17-12-10-9-11-16(17)15(5)6/h9-12,14-15H,7-8,13H2,1-6H3
InChIKeyDCWVAZONWWVTNL-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.34
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-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane?
The IUPAC name of diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane (CID 91731488) is diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane.
What is the SMILES notation for diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane?
The canonical SMILES for diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane is CC[Si](CC)(OCC(C)C)Oc1ccccc1C(C)C.
What is the InChIKey of diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane?
The InChIKey is DCWVAZONWWVTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-7-20(8-2,18-13-14(3)4)19-17-12-10-9-11-16(17)15(5)6/h9-12,14-15H,7-8,13H2,1-6H3.
What are the key properties of diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane?
diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane has a molecular weight of 294.51 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methylpropoxy)-(2-propan-2-ylphenoxy)silane is sourced from PubChem (CID 91731488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).