dichloro-ethoxy-propylsilane

C5H12Cl2OSi — CID 141075533

IUPACdichloro-ethoxy-propylsilane
SMILESCCC[Si](Cl)(Cl)OCC
InChIInChI=1S/C5H12Cl2OSi/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3
InChIKeyXUDZKPAJTAEGJJ-UHFFFAOYSA-N
MW187.14 g/mol
LogP2.85
Rot. Bonds4

About dichloro-ethoxy-propylsilane

dichloro-ethoxy-propylsilane (PubChem CID 141075533) has the molecular formula C5H12Cl2OSi and a molecular weight of 187.14 g/mol. Its IUPAC name is dichloro-ethoxy-propylsilane.

Molecular Properties

Compound Namedichloro-ethoxy-propylsilane
PubChem CID141075533
Molecular FormulaC5H12Cl2OSi
Molecular Weight187.14 g/mol
Exact Mass186.00
IUPAC Namedichloro-ethoxy-propylsilane
SMILESCCC[Si](Cl)(Cl)OCC
InChIInChI=1S/C5H12Cl2OSi/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3
InChIKeyXUDZKPAJTAEGJJ-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dichloro-ethoxy-propylsilane 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 dichloro-ethoxy-propylsilane?
The IUPAC name of dichloro-ethoxy-propylsilane (CID 141075533) is dichloro-ethoxy-propylsilane.
What is the SMILES notation for dichloro-ethoxy-propylsilane?
The canonical SMILES for dichloro-ethoxy-propylsilane is CCC[Si](Cl)(Cl)OCC.
What is the InChIKey of dichloro-ethoxy-propylsilane?
The InChIKey is XUDZKPAJTAEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2OSi/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3.
What are the key properties of dichloro-ethoxy-propylsilane?
dichloro-ethoxy-propylsilane has a molecular weight of 187.14 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-ethoxy-propylsilane is sourced from PubChem (CID 141075533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).