2-tert-butyl-1,1,2-triethoxysilinane

C15H32O3Si — CID 174335557

IUPAC2-tert-butyl-1,1,2-triethoxysilinane
SMILESCCOC1(C(C)(C)C)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C15H32O3Si/c1-7-16-15(14(4,5)6)12-10-11-13-19(15,17-8-2)18-9-3/h7-13H2,1-6H3
InChIKeyZMWNJBOMZLKTLB-UHFFFAOYSA-N
MW288.50 g/mol
LogP4.05
Rot. Bonds6

About 2-tert-butyl-1,1,2-triethoxysilinane

2-tert-butyl-1,1,2-triethoxysilinane (PubChem CID 174335557) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is 2-tert-butyl-1,1,2-triethoxysilinane.

Molecular Properties

Compound Name2-tert-butyl-1,1,2-triethoxysilinane
PubChem CID174335557
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name2-tert-butyl-1,1,2-triethoxysilinane
SMILESCCOC1(C(C)(C)C)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C15H32O3Si/c1-7-16-15(14(4,5)6)12-10-11-13-19(15,17-8-2)18-9-3/h7-13H2,1-6H3
InChIKeyZMWNJBOMZLKTLB-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-tert-butyl-1,1,2-triethoxysilinane?
The IUPAC name of 2-tert-butyl-1,1,2-triethoxysilinane (CID 174335557) is 2-tert-butyl-1,1,2-triethoxysilinane.
What is the SMILES notation for 2-tert-butyl-1,1,2-triethoxysilinane?
The canonical SMILES for 2-tert-butyl-1,1,2-triethoxysilinane is CCOC1(C(C)(C)C)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 2-tert-butyl-1,1,2-triethoxysilinane?
The InChIKey is ZMWNJBOMZLKTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-7-16-15(14(4,5)6)12-10-11-13-19(15,17-8-2)18-9-3/h7-13H2,1-6H3.
What are the key properties of 2-tert-butyl-1,1,2-triethoxysilinane?
2-tert-butyl-1,1,2-triethoxysilinane has a molecular weight of 288.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1,2-triethoxysilinane is sourced from PubChem (CID 174335557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).