1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane

C17H36O3Si — CID 174593190

IUPAC1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane
SMILESCCOC1(CC)C(CC(C)C)CCC[Si]1(OCC)OCC
InChIInChI=1S/C17H36O3Si/c1-7-17(18-8-2)16(14-15(5)6)12-11-13-21(17,19-9-3)20-10-4/h15-16H,7-14H2,1-6H3
InChIKeyZXBHUFNKDHIDHN-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.68
Rot. Bonds9

About 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane

1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane (PubChem CID 174593190) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane
PubChem CID174593190
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane
SMILESCCOC1(CC)C(CC(C)C)CCC[Si]1(OCC)OCC
InChIInChI=1S/C17H36O3Si/c1-7-17(18-8-2)16(14-15(5)6)12-11-13-21(17,19-9-3)20-10-4/h15-16H,7-14H2,1-6H3
InChIKeyZXBHUFNKDHIDHN-UHFFFAOYSA-N
XLogP4.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.68
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 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane?
The IUPAC name of 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane (CID 174593190) is 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane.
What is the SMILES notation for 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane?
The canonical SMILES for 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane is CCOC1(CC)C(CC(C)C)CCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane?
The InChIKey is ZXBHUFNKDHIDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-7-17(18-8-2)16(14-15(5)6)12-11-13-21(17,19-9-3)20-10-4/h15-16H,7-14H2,1-6H3.
What are the key properties of 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane?
1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane has a molecular weight of 316.56 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxy-2-ethyl-3-(2-methylpropyl)silinane is sourced from PubChem (CID 174593190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).