[(2,2-Dichloroethoxy)methyl]silane

C3H5Cl2OSi — CID 78061985

IUPAC—
SMILES[Si]COCC(Cl)Cl
InChIInChI=1S/C3H5Cl2OSi/c4-3(5)1-6-2-7/h3H,1-2H2
InChIKeyQBYVFGZNUNLWKB-UHFFFAOYSA-N
MW156.06 g/mol
LogP0.93
Rot. Bonds3

About [(2,2-Dichloroethoxy)methyl]silane

[(2,2-Dichloroethoxy)methyl]silane (PubChem CID 78061985) has the molecular formula C3H5Cl2OSi and a molecular weight of 156.06 g/mol.

Molecular Properties

Compound Name[(2,2-Dichloroethoxy)methyl]silane
PubChem CID78061985
Molecular FormulaC3H5Cl2OSi
Molecular Weight156.06 g/mol
Exact Mass154.95
IUPAC Name—
SMILES[Si]COCC(Cl)Cl
InChIInChI=1S/C3H5Cl2OSi/c4-3(5)1-6-2-7/h3H,1-2H2
InChIKeyQBYVFGZNUNLWKB-UHFFFAOYSA-N
XLogP0.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 50.93
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 [(2,2-Dichloroethoxy)methyl]silane?
The IUPAC name of [(2,2-Dichloroethoxy)methyl]silane (CID 78061985) is not available.
What is the SMILES notation for [(2,2-Dichloroethoxy)methyl]silane?
The canonical SMILES for [(2,2-Dichloroethoxy)methyl]silane is [Si]COCC(Cl)Cl.
What is the InChIKey of [(2,2-Dichloroethoxy)methyl]silane?
The InChIKey is QBYVFGZNUNLWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2OSi/c4-3(5)1-6-2-7/h3H,1-2H2.
What are the key properties of [(2,2-Dichloroethoxy)methyl]silane?
[(2,2-Dichloroethoxy)methyl]silane has a molecular weight of 156.06 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-Dichloroethoxy)methyl]silane is sourced from PubChem (CID 78061985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).