1,1-dichloropropan-2-yl(trimethoxy)silane

C6H14Cl2O3Si — CID 57128304

IUPAC1,1-dichloropropan-2-yl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(C)C(Cl)Cl
InChIInChI=1S/C6H14Cl2O3Si/c1-5(6(7)8)12(9-2,10-3)11-4/h5-6H,1-4H3
InChIKeyAWZJXMLEUYICBH-UHFFFAOYSA-N
MW233.17 g/mol
LogP2.06
Rot. Bonds5

About 1,1-dichloropropan-2-yl(trimethoxy)silane

1,1-dichloropropan-2-yl(trimethoxy)silane (PubChem CID 57128304) has the molecular formula C6H14Cl2O3Si and a molecular weight of 233.17 g/mol. Its IUPAC name is 1,1-dichloropropan-2-yl(trimethoxy)silane.

Molecular Properties

Compound Name1,1-dichloropropan-2-yl(trimethoxy)silane
PubChem CID57128304
Molecular FormulaC6H14Cl2O3Si
Molecular Weight233.17 g/mol
Exact Mass232.01
IUPAC Name1,1-dichloropropan-2-yl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(C)C(Cl)Cl
InChIInChI=1S/C6H14Cl2O3Si/c1-5(6(7)8)12(9-2,10-3)11-4/h5-6H,1-4H3
InChIKeyAWZJXMLEUYICBH-UHFFFAOYSA-N
XLogP2.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-dichloropropan-2-yl(trimethoxy)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 1,1-dichloropropan-2-yl(trimethoxy)silane?
The IUPAC name of 1,1-dichloropropan-2-yl(trimethoxy)silane (CID 57128304) is 1,1-dichloropropan-2-yl(trimethoxy)silane.
What is the SMILES notation for 1,1-dichloropropan-2-yl(trimethoxy)silane?
The canonical SMILES for 1,1-dichloropropan-2-yl(trimethoxy)silane is CO[Si](OC)(OC)C(C)C(Cl)Cl.
What is the InChIKey of 1,1-dichloropropan-2-yl(trimethoxy)silane?
The InChIKey is AWZJXMLEUYICBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2O3Si/c1-5(6(7)8)12(9-2,10-3)11-4/h5-6H,1-4H3.
What are the key properties of 1,1-dichloropropan-2-yl(trimethoxy)silane?
1,1-dichloropropan-2-yl(trimethoxy)silane has a molecular weight of 233.17 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloropropan-2-yl(trimethoxy)silane is sourced from PubChem (CID 57128304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).