ethenyl 4-chloropent-4-enoate

C7H9ClO2 — CID 57124907

IUPACethenyl 4-chloropent-4-enoate
SMILESC=COC(=O)CCC(=C)Cl
InChIInChI=1S/C7H9ClO2/c1-3-10-7(9)5-4-6(2)8/h3H,1-2,4-5H2
InChIKeyJDBHLMCXDYPLIJ-UHFFFAOYSA-N
MW160.60 g/mol
LogP2.21
Rot. Bonds4

About ethenyl 4-chloropent-4-enoate

ethenyl 4-chloropent-4-enoate (PubChem CID 57124907) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is ethenyl 4-chloropent-4-enoate.

Molecular Properties

Compound Nameethenyl 4-chloropent-4-enoate
PubChem CID57124907
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Nameethenyl 4-chloropent-4-enoate
SMILESC=COC(=O)CCC(=C)Cl
InChIInChI=1S/C7H9ClO2/c1-3-10-7(9)5-4-6(2)8/h3H,1-2,4-5H2
InChIKeyJDBHLMCXDYPLIJ-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethenyl 4-chloropent-4-enoate 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 ethenyl 4-chloropent-4-enoate?
The IUPAC name of ethenyl 4-chloropent-4-enoate (CID 57124907) is ethenyl 4-chloropent-4-enoate.
What is the SMILES notation for ethenyl 4-chloropent-4-enoate?
The canonical SMILES for ethenyl 4-chloropent-4-enoate is C=COC(=O)CCC(=C)Cl.
What is the InChIKey of ethenyl 4-chloropent-4-enoate?
The InChIKey is JDBHLMCXDYPLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2/c1-3-10-7(9)5-4-6(2)8/h3H,1-2,4-5H2.
What are the key properties of ethenyl 4-chloropent-4-enoate?
ethenyl 4-chloropent-4-enoate has a molecular weight of 160.60 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-chloropent-4-enoate is sourced from PubChem (CID 57124907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).