1,2,2-trichloroethoxysilane

C2H5Cl3OSi — CID 173019007

IUPAC1,2,2-trichloroethoxysilane
SMILES[SiH3]OC(Cl)C(Cl)Cl
InChIInChI=1S/C2H5Cl3OSi/c3-1(4)2(5)6-7/h1-2H,7H3
InChIKeyGDRIJBPSTJKDFY-UHFFFAOYSA-N
MW179.51 g/mol
LogP0.65
Rot. Bonds2

About 1,2,2-trichloroethoxysilane

1,2,2-trichloroethoxysilane (PubChem CID 173019007) has the molecular formula C2H5Cl3OSi and a molecular weight of 179.51 g/mol. Its IUPAC name is 1,2,2-trichloroethoxysilane.

Molecular Properties

Compound Name1,2,2-trichloroethoxysilane
PubChem CID173019007
Molecular FormulaC2H5Cl3OSi
Molecular Weight179.51 g/mol
Exact Mass177.92
IUPAC Name1,2,2-trichloroethoxysilane
SMILES[SiH3]OC(Cl)C(Cl)Cl
InChIInChI=1S/C2H5Cl3OSi/c3-1(4)2(5)6-7/h1-2H,7H3
InChIKeyGDRIJBPSTJKDFY-UHFFFAOYSA-N
XLogP0.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.51
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trichloroethoxysilane?
The IUPAC name of 1,2,2-trichloroethoxysilane (CID 173019007) is 1,2,2-trichloroethoxysilane.
What is the SMILES notation for 1,2,2-trichloroethoxysilane?
The canonical SMILES for 1,2,2-trichloroethoxysilane is [SiH3]OC(Cl)C(Cl)Cl.
What is the InChIKey of 1,2,2-trichloroethoxysilane?
The InChIKey is GDRIJBPSTJKDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl3OSi/c3-1(4)2(5)6-7/h1-2H,7H3.
What are the key properties of 1,2,2-trichloroethoxysilane?
1,2,2-trichloroethoxysilane has a molecular weight of 179.51 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trichloroethoxysilane is sourced from PubChem (CID 173019007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).