ethyl 4-chloropent-4-enoate

C7H11ClO2 — CID 86000258

IUPACethyl 4-chloropent-4-enoate
SMILESC=C(Cl)CCC(=O)OCC
InChIInChI=1S/C7H11ClO2/c1-3-10-7(9)5-4-6(2)8/h2-5H2,1H3
InChIKeyRIDHJLXDPBJKPV-UHFFFAOYSA-N
MW162.62 g/mol
LogP2.08
Rot. Bonds4

About ethyl 4-chloropent-4-enoate

ethyl 4-chloropent-4-enoate (PubChem CID 86000258) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is ethyl 4-chloropent-4-enoate.

Molecular Properties

Compound Nameethyl 4-chloropent-4-enoate
PubChem CID86000258
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Nameethyl 4-chloropent-4-enoate
SMILESC=C(Cl)CCC(=O)OCC
InChIInChI=1S/C7H11ClO2/c1-3-10-7(9)5-4-6(2)8/h2-5H2,1H3
InChIKeyRIDHJLXDPBJKPV-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl (4e)-5-chloropent-4-enoate
CID 71664831
Ethyl (4z)-5-chloropent-4-enoate
CID 129770111
Ethyl 3-chloropent-4-enoate
CID 11194508
Methyl 4-chloropent-4-enoate
CID 12583069
Ethyl 2,4-dichloropent-4-enoate
CID 86034098
Ethyl 5,5-dichloropent-4-enoate
CID 129810202
Butanoic acid, 3-chloro, 4-pentenyl ester
CID 527693
Butanoic acid, 4-chloro, 4-pentenyl ester
CID 527704
Ethyl 4-chloro-2,2-dimethylpent-4-enoate
CID 3653118
Ethyl 4-chloro-2-oxopent-4-enoate
CID 18370797
Ethyl 3-chlorobut-3-enoate
CID 23272137
Ethenyl 4-chloropent-4-enoate
CID 57124907

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloropent-4-enoate?
The IUPAC name of ethyl 4-chloropent-4-enoate (CID 86000258) is ethyl 4-chloropent-4-enoate.
What is the SMILES notation for ethyl 4-chloropent-4-enoate?
The canonical SMILES for ethyl 4-chloropent-4-enoate is C=C(Cl)CCC(=O)OCC.
What is the InChIKey of ethyl 4-chloropent-4-enoate?
The InChIKey is RIDHJLXDPBJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-3-10-7(9)5-4-6(2)8/h2-5H2,1H3.
What are the key properties of ethyl 4-chloropent-4-enoate?
ethyl 4-chloropent-4-enoate has a molecular weight of 162.62 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloropent-4-enoate is sourced from PubChem (CID 86000258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).