chloro-ethenyl-diethoxysilane

C6H13ClO2Si — CID 13484061

IUPACchloro-ethenyl-diethoxysilane
SMILESC=C[Si](Cl)(OCC)OCC
InChIInChI=1S/C6H13ClO2Si/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3
InChIKeyRPJAIHNHGUFRTI-UHFFFAOYSA-N
MW180.71 g/mol
LogP1.96
Rot. Bonds5

About chloro-ethenyl-diethoxysilane

chloro-ethenyl-diethoxysilane (PubChem CID 13484061) has the molecular formula C6H13ClO2Si and a molecular weight of 180.71 g/mol. Its IUPAC name is chloro-ethenyl-diethoxysilane.

Molecular Properties

Compound Namechloro-ethenyl-diethoxysilane
PubChem CID13484061
Molecular FormulaC6H13ClO2Si
Molecular Weight180.71 g/mol
Exact Mass180.04
IUPAC Namechloro-ethenyl-diethoxysilane
SMILESC=C[Si](Cl)(OCC)OCC
InChIInChI=1S/C6H13ClO2Si/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3
InChIKeyRPJAIHNHGUFRTI-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.71
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloro-ethenyl-diethoxysilane 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-ethenyl-diethoxysilane?
The IUPAC name of chloro-ethenyl-diethoxysilane (CID 13484061) is chloro-ethenyl-diethoxysilane.
What is the SMILES notation for chloro-ethenyl-diethoxysilane?
The canonical SMILES for chloro-ethenyl-diethoxysilane is C=C[Si](Cl)(OCC)OCC.
What is the InChIKey of chloro-ethenyl-diethoxysilane?
The InChIKey is RPJAIHNHGUFRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2Si/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3.
What are the key properties of chloro-ethenyl-diethoxysilane?
chloro-ethenyl-diethoxysilane has a molecular weight of 180.71 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethenyl-diethoxysilane is sourced from PubChem (CID 13484061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).