bis(2-chloroethoxy)-ethylsilane

C6H14Cl2O2Si — CID 123393354

IUPACbis(2-chloroethoxy)-ethylsilane
SMILESCC[SiH](OCCCl)OCCCl
InChIInChI=1S/C6H14Cl2O2Si/c1-2-11(9-5-3-7)10-6-4-8/h11H,2-6H2,1H3
InChIKeyKNYHKYPHPXQCRY-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.74
Rot. Bonds7

About bis(2-chloroethoxy)-ethylsilane

bis(2-chloroethoxy)-ethylsilane (PubChem CID 123393354) has the molecular formula C6H14Cl2O2Si and a molecular weight of 217.17 g/mol. Its IUPAC name is bis(2-chloroethoxy)-ethylsilane.

Molecular Properties

Compound Namebis(2-chloroethoxy)-ethylsilane
PubChem CID123393354
Molecular FormulaC6H14Cl2O2Si
Molecular Weight217.17 g/mol
Exact Mass216.01
IUPAC Namebis(2-chloroethoxy)-ethylsilane
SMILESCC[SiH](OCCCl)OCCCl
InChIInChI=1S/C6H14Cl2O2Si/c1-2-11(9-5-3-7)10-6-4-8/h11H,2-6H2,1H3
InChIKeyKNYHKYPHPXQCRY-UHFFFAOYSA-N
XLogP1.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-chloroethoxy)-ethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-chloroethoxy)-ethylsilane?
The IUPAC name of bis(2-chloroethoxy)-ethylsilane (CID 123393354) is bis(2-chloroethoxy)-ethylsilane.
What is the SMILES notation for bis(2-chloroethoxy)-ethylsilane?
The canonical SMILES for bis(2-chloroethoxy)-ethylsilane is CC[SiH](OCCCl)OCCCl.
What is the InChIKey of bis(2-chloroethoxy)-ethylsilane?
The InChIKey is KNYHKYPHPXQCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2O2Si/c1-2-11(9-5-3-7)10-6-4-8/h11H,2-6H2,1H3.
What are the key properties of bis(2-chloroethoxy)-ethylsilane?
bis(2-chloroethoxy)-ethylsilane has a molecular weight of 217.17 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloroethoxy)-ethylsilane is sourced from PubChem (CID 123393354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).