diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane

C13H30O2Si — CID 91735166

IUPACdiethyl-(3-methylbutoxy)-(2-methylpropoxy)silane
SMILESCC[Si](CC)(OCCC(C)C)OCC(C)C
InChIInChI=1S/C13H30O2Si/c1-7-16(8-2,15-11-13(5)6)14-10-9-12(3)4/h12-13H,7-11H2,1-6H3
InChIKeyYVTQGLVFFWXLOO-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.20
Rot. Bonds9

About diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane

diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane (PubChem CID 91735166) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane.

Molecular Properties

Compound Namediethyl-(3-methylbutoxy)-(2-methylpropoxy)silane
PubChem CID91735166
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Namediethyl-(3-methylbutoxy)-(2-methylpropoxy)silane
SMILESCC[Si](CC)(OCCC(C)C)OCC(C)C
InChIInChI=1S/C13H30O2Si/c1-7-16(8-2,15-11-13(5)6)14-10-9-12(3)4/h12-13H,7-11H2,1-6H3
InChIKeyYVTQGLVFFWXLOO-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane?
The IUPAC name of diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane (CID 91735166) is diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane.
What is the SMILES notation for diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane?
The canonical SMILES for diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane is CC[Si](CC)(OCCC(C)C)OCC(C)C.
What is the InChIKey of diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane?
The InChIKey is YVTQGLVFFWXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-7-16(8-2,15-11-13(5)6)14-10-9-12(3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane?
diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane has a molecular weight of 246.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-methylbutoxy)-(2-methylpropoxy)silane is sourced from PubChem (CID 91735166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).