butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane

C14H32Cl2O3Si2 — CID 91748229

IUPACbutyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane
SMILESCCCC[Si](CCl)(OCC)O[Si](CCl)(CCCC)OCC
InChIInChI=1S/C14H32Cl2O3Si2/c1-5-9-11-20(13-15,17-7-3)19-21(14-16,18-8-4)12-10-6-2/h5-14H2,1-4H3
InChIKeyOYERBRLZTJXGFR-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.12
Rot. Bonds14

About butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane

butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane (PubChem CID 91748229) has the molecular formula C14H32Cl2O3Si2 and a molecular weight of 375.49 g/mol. Its IUPAC name is butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane.

Molecular Properties

Compound Namebutyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane
PubChem CID91748229
Molecular FormulaC14H32Cl2O3Si2
Molecular Weight375.49 g/mol
Exact Mass374.13
IUPAC Namebutyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane
SMILESCCCC[Si](CCl)(OCC)O[Si](CCl)(CCCC)OCC
InChIInChI=1S/C14H32Cl2O3Si2/c1-5-9-11-20(13-15,17-7-3)19-21(14-16,18-8-4)12-10-6-2/h5-14H2,1-4H3
InChIKeyOYERBRLZTJXGFR-UHFFFAOYSA-N
XLogP5.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.12
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 butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane 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 butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane?
The IUPAC name of butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane (CID 91748229) is butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane.
What is the SMILES notation for butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane?
The canonical SMILES for butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane is CCCC[Si](CCl)(OCC)O[Si](CCl)(CCCC)OCC.
What is the InChIKey of butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane?
The InChIKey is OYERBRLZTJXGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32Cl2O3Si2/c1-5-9-11-20(13-15,17-7-3)19-21(14-16,18-8-4)12-10-6-2/h5-14H2,1-4H3.
What are the key properties of butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane?
butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane has a molecular weight of 375.49 g/mol, XLogP of 5.12, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[butyl-(chloromethyl)-ethoxysilyl]oxy-(chloromethyl)-ethoxysilane is sourced from PubChem (CID 91748229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).