diethyl-(3-methylbutoxy)-propoxysilane

C12H28O2Si — CID 91733301

IUPACdiethyl-(3-methylbutoxy)-propoxysilane
SMILESCCCO[Si](CC)(CC)OCCC(C)C
InChIInChI=1S/C12H28O2Si/c1-6-10-13-15(7-2,8-3)14-11-9-12(4)5/h12H,6-11H2,1-5H3
InChIKeyPLEZZQZLYJAABQ-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.96
Rot. Bonds9

About diethyl-(3-methylbutoxy)-propoxysilane

diethyl-(3-methylbutoxy)-propoxysilane (PubChem CID 91733301) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is diethyl-(3-methylbutoxy)-propoxysilane.

Molecular Properties

Compound Namediethyl-(3-methylbutoxy)-propoxysilane
PubChem CID91733301
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Namediethyl-(3-methylbutoxy)-propoxysilane
SMILESCCCO[Si](CC)(CC)OCCC(C)C
InChIInChI=1S/C12H28O2Si/c1-6-10-13-15(7-2,8-3)14-11-9-12(4)5/h12H,6-11H2,1-5H3
InChIKeyPLEZZQZLYJAABQ-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.96
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-(3-methylbutoxy)-propoxysilane?
The IUPAC name of diethyl-(3-methylbutoxy)-propoxysilane (CID 91733301) is diethyl-(3-methylbutoxy)-propoxysilane.
What is the SMILES notation for diethyl-(3-methylbutoxy)-propoxysilane?
The canonical SMILES for diethyl-(3-methylbutoxy)-propoxysilane is CCCO[Si](CC)(CC)OCCC(C)C.
What is the InChIKey of diethyl-(3-methylbutoxy)-propoxysilane?
The InChIKey is PLEZZQZLYJAABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-6-10-13-15(7-2,8-3)14-11-9-12(4)5/h12H,6-11H2,1-5H3.
What are the key properties of diethyl-(3-methylbutoxy)-propoxysilane?
diethyl-(3-methylbutoxy)-propoxysilane has a molecular weight of 232.44 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-methylbutoxy)-propoxysilane is sourced from PubChem (CID 91733301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).