chloro-(2-chloroethoxy)-methylsilane

C3H8Cl2OSi — CID 152748302

IUPACchloro-(2-chloroethoxy)-methylsilane
SMILESC[SiH](Cl)OCCCl
InChIInChI=1S/C3H8Cl2OSi/c1-7(5)6-3-2-4/h7H,2-3H2,1H3
InChIKeyQVXZFEFFVAQXGQ-UHFFFAOYSA-N
MW159.09 g/mol
LogP1.33
Rot. Bonds3

About chloro-(2-chloroethoxy)-methylsilane

chloro-(2-chloroethoxy)-methylsilane (PubChem CID 152748302) has the molecular formula C3H8Cl2OSi and a molecular weight of 159.09 g/mol. Its IUPAC name is chloro-(2-chloroethoxy)-methylsilane.

Molecular Properties

Compound Namechloro-(2-chloroethoxy)-methylsilane
PubChem CID152748302
Molecular FormulaC3H8Cl2OSi
Molecular Weight159.09 g/mol
Exact Mass157.97
IUPAC Namechloro-(2-chloroethoxy)-methylsilane
SMILESC[SiH](Cl)OCCCl
InChIInChI=1S/C3H8Cl2OSi/c1-7(5)6-3-2-4/h7H,2-3H2,1H3
InChIKeyQVXZFEFFVAQXGQ-UHFFFAOYSA-N
XLogP1.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 51.33
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-(2-chloroethoxy)-methylsilane 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-(2-chloroethoxy)-methylsilane?
The IUPAC name of chloro-(2-chloroethoxy)-methylsilane (CID 152748302) is chloro-(2-chloroethoxy)-methylsilane.
What is the SMILES notation for chloro-(2-chloroethoxy)-methylsilane?
The canonical SMILES for chloro-(2-chloroethoxy)-methylsilane is C[SiH](Cl)OCCCl.
What is the InChIKey of chloro-(2-chloroethoxy)-methylsilane?
The InChIKey is QVXZFEFFVAQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2OSi/c1-7(5)6-3-2-4/h7H,2-3H2,1H3.
What are the key properties of chloro-(2-chloroethoxy)-methylsilane?
chloro-(2-chloroethoxy)-methylsilane has a molecular weight of 159.09 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-chloroethoxy)-methylsilane is sourced from PubChem (CID 152748302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).