1,1,2-triethoxysilole

C10H18O3Si — CID 66958387

IUPAC1,1,2-triethoxysilole
SMILESCCOC1=CC=C[Si]1(OCC)OCC
InChIInChI=1S/C10H18O3Si/c1-4-11-10-8-7-9-14(10,12-5-2)13-6-3/h7-9H,4-6H2,1-3H3
InChIKeyGGLXARHXMARFJM-UHFFFAOYSA-N
MW214.34 g/mol
LogP2.07
Rot. Bonds6

About 1,1,2-triethoxysilole

1,1,2-triethoxysilole (PubChem CID 66958387) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is 1,1,2-triethoxysilole.

Molecular Properties

Compound Name1,1,2-triethoxysilole
PubChem CID66958387
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Name1,1,2-triethoxysilole
SMILESCCOC1=CC=C[Si]1(OCC)OCC
InChIInChI=1S/C10H18O3Si/c1-4-11-10-8-7-9-14(10,12-5-2)13-6-3/h7-9H,4-6H2,1-3H3
InChIKeyGGLXARHXMARFJM-UHFFFAOYSA-N
XLogP2.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 52.07
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-triethoxysilole?
The IUPAC name of 1,1,2-triethoxysilole (CID 66958387) is 1,1,2-triethoxysilole.
What is the SMILES notation for 1,1,2-triethoxysilole?
The canonical SMILES for 1,1,2-triethoxysilole is CCOC1=CC=C[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxysilole?
The InChIKey is GGLXARHXMARFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-4-11-10-8-7-9-14(10,12-5-2)13-6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,1,2-triethoxysilole?
1,1,2-triethoxysilole has a molecular weight of 214.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxysilole is sourced from PubChem (CID 66958387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).