2,2-dichloroethoxymethylsilane

C3H8Cl2OSi — CID 71353263

IUPAC2,2-dichloroethoxymethylsilane
SMILES[SiH3]COCC(Cl)Cl
InChIInChI=1S/C3H8Cl2OSi/c4-3(5)1-6-2-7/h3H,1-2H2,7H3
InChIKeyMFJPLYXFBQKADO-UHFFFAOYSA-N
MW159.09 g/mol
LogP0.13
Rot. Bonds3

About 2,2-dichloroethoxymethylsilane

2,2-dichloroethoxymethylsilane (PubChem CID 71353263) has the molecular formula C3H8Cl2OSi and a molecular weight of 159.09 g/mol. Its IUPAC name is 2,2-dichloroethoxymethylsilane.

Molecular Properties

Compound Name2,2-dichloroethoxymethylsilane
PubChem CID71353263
Molecular FormulaC3H8Cl2OSi
Molecular Weight159.09 g/mol
Exact Mass157.97
IUPAC Name2,2-dichloroethoxymethylsilane
SMILES[SiH3]COCC(Cl)Cl
InChIInChI=1S/C3H8Cl2OSi/c4-3(5)1-6-2-7/h3H,1-2H2,7H3
InChIKeyMFJPLYXFBQKADO-UHFFFAOYSA-N
XLogP0.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 50.13
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-dichloroethoxymethylsilane?
The IUPAC name of 2,2-dichloroethoxymethylsilane (CID 71353263) is 2,2-dichloroethoxymethylsilane.
What is the SMILES notation for 2,2-dichloroethoxymethylsilane?
The canonical SMILES for 2,2-dichloroethoxymethylsilane is [SiH3]COCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethoxymethylsilane?
The InChIKey is MFJPLYXFBQKADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2OSi/c4-3(5)1-6-2-7/h3H,1-2H2,7H3.
What are the key properties of 2,2-dichloroethoxymethylsilane?
2,2-dichloroethoxymethylsilane has a molecular weight of 159.09 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethoxymethylsilane is sourced from PubChem (CID 71353263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).