4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene

C8H12Cl2O — CID 53446131

IUPAC4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene
SMILESClCCC=COC=CCCCl
InChIInChI=1S/C8H12Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h3-4,7-8H,1-2,5-6H2
InChIKeyYMXLVVPDROJEDP-UHFFFAOYSA-N
MW195.09 g/mol
LogP3.29
Rot. Bonds6

About 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene

4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene (PubChem CID 53446131) has the molecular formula C8H12Cl2O and a molecular weight of 195.09 g/mol. Its IUPAC name is 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene.

Molecular Properties

Compound Name4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene
PubChem CID53446131
Molecular FormulaC8H12Cl2O
Molecular Weight195.09 g/mol
Exact Mass194.03
IUPAC Name4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene
SMILESClCCC=COC=CCCCl
InChIInChI=1S/C8H12Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h3-4,7-8H,1-2,5-6H2
InChIKeyYMXLVVPDROJEDP-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene 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 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene?
The IUPAC name of 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene (CID 53446131) is 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene.
What is the SMILES notation for 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene?
The canonical SMILES for 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene is ClCCC=COC=CCCCl.
What is the InChIKey of 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene?
The InChIKey is YMXLVVPDROJEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene?
4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene has a molecular weight of 195.09 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chlorobut-1-enoxy)but-1-ene is sourced from PubChem (CID 53446131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).