3-chlorobutyl(1,2-dichloroethoxy)silane

C6H13Cl3OSi — CID 123301882

IUPAC3-chlorobutyl(1,2-dichloroethoxy)silane
SMILESCC(Cl)CC[SiH2]OC(Cl)CCl
InChIInChI=1S/C6H13Cl3OSi/c1-5(8)2-3-11-10-6(9)4-7/h5-6H,2-4,11H2,1H3
InChIKeyBHUOWBLRJMNKEP-UHFFFAOYSA-N
MW235.61 g/mol
LogP2.33
Rot. Bonds6

About 3-chlorobutyl(1,2-dichloroethoxy)silane

3-chlorobutyl(1,2-dichloroethoxy)silane (PubChem CID 123301882) has the molecular formula C6H13Cl3OSi and a molecular weight of 235.61 g/mol. Its IUPAC name is 3-chlorobutyl(1,2-dichloroethoxy)silane.

Molecular Properties

Compound Name3-chlorobutyl(1,2-dichloroethoxy)silane
PubChem CID123301882
Molecular FormulaC6H13Cl3OSi
Molecular Weight235.61 g/mol
Exact Mass233.98
IUPAC Name3-chlorobutyl(1,2-dichloroethoxy)silane
SMILESCC(Cl)CC[SiH2]OC(Cl)CCl
InChIInChI=1S/C6H13Cl3OSi/c1-5(8)2-3-11-10-6(9)4-7/h5-6H,2-4,11H2,1H3
InChIKeyBHUOWBLRJMNKEP-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.61
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chlorobutyl(1,2-dichloroethoxy)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 3-chlorobutyl(1,2-dichloroethoxy)silane?
The IUPAC name of 3-chlorobutyl(1,2-dichloroethoxy)silane (CID 123301882) is 3-chlorobutyl(1,2-dichloroethoxy)silane.
What is the SMILES notation for 3-chlorobutyl(1,2-dichloroethoxy)silane?
The canonical SMILES for 3-chlorobutyl(1,2-dichloroethoxy)silane is CC(Cl)CC[SiH2]OC(Cl)CCl.
What is the InChIKey of 3-chlorobutyl(1,2-dichloroethoxy)silane?
The InChIKey is BHUOWBLRJMNKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl3OSi/c1-5(8)2-3-11-10-6(9)4-7/h5-6H,2-4,11H2,1H3.
What are the key properties of 3-chlorobutyl(1,2-dichloroethoxy)silane?
3-chlorobutyl(1,2-dichloroethoxy)silane has a molecular weight of 235.61 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobutyl(1,2-dichloroethoxy)silane is sourced from PubChem (CID 123301882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).