bis(1-chloroethoxy)silane

C4H10Cl2O2Si — CID 123183734

IUPACbis(1-chloroethoxy)silane
SMILESCC(Cl)O[SiH2]OC(C)Cl
InChIInChI=1S/C4H10Cl2O2Si/c1-3(5)7-9-8-4(2)6/h3-4H,9H2,1-2H3
InChIKeyIOIVQEIJTYHLHN-UHFFFAOYSA-N
MW189.11 g/mol
LogP1.19
Rot. Bonds4

About bis(1-chloroethoxy)silane

bis(1-chloroethoxy)silane (PubChem CID 123183734) has the molecular formula C4H10Cl2O2Si and a molecular weight of 189.11 g/mol. Its IUPAC name is bis(1-chloroethoxy)silane.

Molecular Properties

Compound Namebis(1-chloroethoxy)silane
PubChem CID123183734
Molecular FormulaC4H10Cl2O2Si
Molecular Weight189.11 g/mol
Exact Mass187.98
IUPAC Namebis(1-chloroethoxy)silane
SMILESCC(Cl)O[SiH2]OC(C)Cl
InChIInChI=1S/C4H10Cl2O2Si/c1-3(5)7-9-8-4(2)6/h3-4H,9H2,1-2H3
InChIKeyIOIVQEIJTYHLHN-UHFFFAOYSA-N
XLogP1.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 51.19
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(1-chloroethoxy)silane 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(1-chloroethoxy)silane?
The IUPAC name of bis(1-chloroethoxy)silane (CID 123183734) is bis(1-chloroethoxy)silane.
What is the SMILES notation for bis(1-chloroethoxy)silane?
The canonical SMILES for bis(1-chloroethoxy)silane is CC(Cl)O[SiH2]OC(C)Cl.
What is the InChIKey of bis(1-chloroethoxy)silane?
The InChIKey is IOIVQEIJTYHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl2O2Si/c1-3(5)7-9-8-4(2)6/h3-4H,9H2,1-2H3.
What are the key properties of bis(1-chloroethoxy)silane?
bis(1-chloroethoxy)silane has a molecular weight of 189.11 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloroethoxy)silane is sourced from PubChem (CID 123183734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).