2-chloroethoxysilane

C2H7ClOSi — CID 123530912

IUPAC2-chloroethoxysilane
SMILES[SiH3]OCCCl
InChIInChI=1S/C2H7ClOSi/c3-1-2-4-5/h1-2H2,5H3
InChIKeyVDKSCJUPDACFBJ-UHFFFAOYSA-N
MW110.62 g/mol
LogP-0.48
Rot. Bonds2

About 2-chloroethoxysilane

2-chloroethoxysilane (PubChem CID 123530912) has the molecular formula C2H7ClOSi and a molecular weight of 110.62 g/mol. Its IUPAC name is 2-chloroethoxysilane.

Molecular Properties

Compound Name2-chloroethoxysilane
PubChem CID123530912
Molecular FormulaC2H7ClOSi
Molecular Weight110.62 g/mol
Exact Mass110.00
IUPAC Name2-chloroethoxysilane
SMILES[SiH3]OCCCl
InChIInChI=1S/C2H7ClOSi/c3-1-2-4-5/h1-2H2,5H3
InChIKeyVDKSCJUPDACFBJ-UHFFFAOYSA-N
XLogP-0.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.62
LogP ≤ 5-0.48
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'}

Analyze 2-chloroethoxysilane 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 2-chloroethoxysilane?
The IUPAC name of 2-chloroethoxysilane (CID 123530912) is 2-chloroethoxysilane.
What is the SMILES notation for 2-chloroethoxysilane?
The canonical SMILES for 2-chloroethoxysilane is [SiH3]OCCCl.
What is the InChIKey of 2-chloroethoxysilane?
The InChIKey is VDKSCJUPDACFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7ClOSi/c3-1-2-4-5/h1-2H2,5H3.
What are the key properties of 2-chloroethoxysilane?
2-chloroethoxysilane has a molecular weight of 110.62 g/mol, XLogP of -0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxysilane is sourced from PubChem (CID 123530912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).