chloro-bis(chloromethyl)-ethoxysilane

C4H9Cl3OSi — CID 161055751

IUPACchloro-bis(chloromethyl)-ethoxysilane
SMILESCCO[Si](Cl)(CCl)CCl
InChIInChI=1S/C4H9Cl3OSi/c1-2-8-9(7,3-5)4-6/h2-4H2,1H3
InChIKeyUCSMQBIXPVUQAJ-UHFFFAOYSA-N
MW207.56 g/mol
LogP2.26
Rot. Bonds4

About chloro-bis(chloromethyl)-ethoxysilane

chloro-bis(chloromethyl)-ethoxysilane (PubChem CID 161055751) has the molecular formula C4H9Cl3OSi and a molecular weight of 207.56 g/mol. Its IUPAC name is chloro-bis(chloromethyl)-ethoxysilane.

Molecular Properties

Compound Namechloro-bis(chloromethyl)-ethoxysilane
PubChem CID161055751
Molecular FormulaC4H9Cl3OSi
Molecular Weight207.56 g/mol
Exact Mass205.95
IUPAC Namechloro-bis(chloromethyl)-ethoxysilane
SMILESCCO[Si](Cl)(CCl)CCl
InChIInChI=1S/C4H9Cl3OSi/c1-2-8-9(7,3-5)4-6/h2-4H2,1H3
InChIKeyUCSMQBIXPVUQAJ-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.56
LogP ≤ 52.26
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze chloro-bis(chloromethyl)-ethoxysilane 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 chloro-bis(chloromethyl)-ethoxysilane?
The IUPAC name of chloro-bis(chloromethyl)-ethoxysilane (CID 161055751) is chloro-bis(chloromethyl)-ethoxysilane.
What is the SMILES notation for chloro-bis(chloromethyl)-ethoxysilane?
The canonical SMILES for chloro-bis(chloromethyl)-ethoxysilane is CCO[Si](Cl)(CCl)CCl.
What is the InChIKey of chloro-bis(chloromethyl)-ethoxysilane?
The InChIKey is UCSMQBIXPVUQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl3OSi/c1-2-8-9(7,3-5)4-6/h2-4H2,1H3.
What are the key properties of chloro-bis(chloromethyl)-ethoxysilane?
chloro-bis(chloromethyl)-ethoxysilane has a molecular weight of 207.56 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(chloromethyl)-ethoxysilane is sourced from PubChem (CID 161055751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).