dibutyl-chloro-(3-chloropropyl)silane

C11H24Cl2Si — CID 19956785

IUPACdibutyl-chloro-(3-chloropropyl)silane
SMILESCCCC[Si](Cl)(CCCC)CCCCl
InChIInChI=1S/C11H24Cl2Si/c1-3-5-9-14(13,10-6-4-2)11-7-8-12/h3-11H2,1-2H3
InChIKeyQDDFNUIUALWCKA-UHFFFAOYSA-N
MW255.30 g/mol
LogP5.40
Rot. Bonds9

About dibutyl-chloro-(3-chloropropyl)silane

dibutyl-chloro-(3-chloropropyl)silane (PubChem CID 19956785) has the molecular formula C11H24Cl2Si and a molecular weight of 255.30 g/mol. Its IUPAC name is dibutyl-chloro-(3-chloropropyl)silane.

Molecular Properties

Compound Namedibutyl-chloro-(3-chloropropyl)silane
PubChem CID19956785
Molecular FormulaC11H24Cl2Si
Molecular Weight255.30 g/mol
Exact Mass254.10
IUPAC Namedibutyl-chloro-(3-chloropropyl)silane
SMILESCCCC[Si](Cl)(CCCC)CCCCl
InChIInChI=1S/C11H24Cl2Si/c1-3-5-9-14(13,10-6-4-2)11-7-8-12/h3-11H2,1-2H3
InChIKeyQDDFNUIUALWCKA-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.30
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 dibutyl-chloro-(3-chloropropyl)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 dibutyl-chloro-(3-chloropropyl)silane?
The IUPAC name of dibutyl-chloro-(3-chloropropyl)silane (CID 19956785) is dibutyl-chloro-(3-chloropropyl)silane.
What is the SMILES notation for dibutyl-chloro-(3-chloropropyl)silane?
The canonical SMILES for dibutyl-chloro-(3-chloropropyl)silane is CCCC[Si](Cl)(CCCC)CCCCl.
What is the InChIKey of dibutyl-chloro-(3-chloropropyl)silane?
The InChIKey is QDDFNUIUALWCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24Cl2Si/c1-3-5-9-14(13,10-6-4-2)11-7-8-12/h3-11H2,1-2H3.
What are the key properties of dibutyl-chloro-(3-chloropropyl)silane?
dibutyl-chloro-(3-chloropropyl)silane has a molecular weight of 255.30 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-chloro-(3-chloropropyl)silane is sourced from PubChem (CID 19956785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).