1,3-dichloropropyl(dimethoxy)silane

C5H12Cl2O2Si — CID 174840470

IUPAC1,3-dichloropropyl(dimethoxy)silane
SMILESCO[SiH](OC)C(Cl)CCCl
InChIInChI=1S/C5H12Cl2O2Si/c1-8-10(9-2)5(7)3-4-6/h5,10H,3-4H2,1-2H3
InChIKeyROIRTEYFCNGLLX-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.28
Rot. Bonds5

About 1,3-dichloropropyl(dimethoxy)silane

1,3-dichloropropyl(dimethoxy)silane (PubChem CID 174840470) has the molecular formula C5H12Cl2O2Si and a molecular weight of 203.14 g/mol. Its IUPAC name is 1,3-dichloropropyl(dimethoxy)silane.

Molecular Properties

Compound Name1,3-dichloropropyl(dimethoxy)silane
PubChem CID174840470
Molecular FormulaC5H12Cl2O2Si
Molecular Weight203.14 g/mol
Exact Mass202.00
IUPAC Name1,3-dichloropropyl(dimethoxy)silane
SMILESCO[SiH](OC)C(Cl)CCCl
InChIInChI=1S/C5H12Cl2O2Si/c1-8-10(9-2)5(7)3-4-6/h5,10H,3-4H2,1-2H3
InChIKeyROIRTEYFCNGLLX-UHFFFAOYSA-N
XLogP1.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dichloropropyl(dimethoxy)silane 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 1,3-dichloropropyl(dimethoxy)silane?
The IUPAC name of 1,3-dichloropropyl(dimethoxy)silane (CID 174840470) is 1,3-dichloropropyl(dimethoxy)silane.
What is the SMILES notation for 1,3-dichloropropyl(dimethoxy)silane?
The canonical SMILES for 1,3-dichloropropyl(dimethoxy)silane is CO[SiH](OC)C(Cl)CCCl.
What is the InChIKey of 1,3-dichloropropyl(dimethoxy)silane?
The InChIKey is ROIRTEYFCNGLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2O2Si/c1-8-10(9-2)5(7)3-4-6/h5,10H,3-4H2,1-2H3.
What are the key properties of 1,3-dichloropropyl(dimethoxy)silane?
1,3-dichloropropyl(dimethoxy)silane has a molecular weight of 203.14 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloropropyl(dimethoxy)silane is sourced from PubChem (CID 174840470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).