ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate

C8H8Cl2O2 — CID 174935950

IUPACethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate
SMILESC=COC(=O)C(C(=C)Cl)C(=C)Cl
InChIInChI=1S/C8H8Cl2O2/c1-4-12-8(11)7(5(2)9)6(3)10/h4,7H,1-3H2
InChIKeyUEUAXUXWUUFVOF-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.79
Rot. Bonds4

About ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate

ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate (PubChem CID 174935950) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate.

Molecular Properties

Compound Nameethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate
PubChem CID174935950
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Nameethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate
SMILESC=COC(=O)C(C(=C)Cl)C(=C)Cl
InChIInChI=1S/C8H8Cl2O2/c1-4-12-8(11)7(5(2)9)6(3)10/h4,7H,1-3H2
InChIKeyUEUAXUXWUUFVOF-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethenyl 2,2-dihydroxyacetate
CID 172859398
ethenyl 2-aminopropanoate
CID 23374910
ethenyl carbonochloridate;methane;dihydrochloride
CID 174491534
3-chloro-2-methylbut-3-enoic acid;ethenyl acetate
CID 174859664
3-ethenoxy-2-methyl-3-oxopropanoic acid
CID 139933111
ethenyl 2,2-diacetyloxyacetate
CID 88828479
ethenyl 3,3,3-trifluoro-2-methylpropanoate
CID 174926990
adamantane;ethenyl methyl carbonate
CID 22116710
ethenyl 2-chloroacetate;ethenyl 2-chloropropanoate
CID 23322956
ethenyl N-methoxycarbamate
CID 59601717
3-chloro-2-ethenoxyprop-2-enoic acid
CID 129245177
bis(ethenyl) carbonate;ethene
CID 87073622

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate?
The IUPAC name of ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate (CID 174935950) is ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate.
What is the SMILES notation for ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate?
The canonical SMILES for ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate is C=COC(=O)C(C(=C)Cl)C(=C)Cl.
What is the InChIKey of ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate?
The InChIKey is UEUAXUXWUUFVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-4-12-8(11)7(5(2)9)6(3)10/h4,7H,1-3H2.
What are the key properties of ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate?
ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate has a molecular weight of 207.06 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate is sourced from PubChem (CID 174935950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).