ethyl (E)-5-chloropent-4-enoate

C7H11ClO2 — CID 71664831

IUPACethyl (E)-5-chloropent-4-enoate
SMILESCCOC(=O)CC/C=C/Cl
InChIInChI=1S/C7H11ClO2/c1-2-10-7(9)5-3-4-6-8/h4,6H,2-3,5H2,1H3/b6-4+
InChIKeyYNNGUMFVSJHNJV-GQCTYLIASA-N
MW162.62 g/mol
LogP2.08
Rot. Bonds4

About ethyl (E)-5-chloropent-4-enoate

ethyl (E)-5-chloropent-4-enoate (PubChem CID 71664831) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is ethyl (E)-5-chloropent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-5-chloropent-4-enoate
PubChem CID71664831
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Nameethyl (E)-5-chloropent-4-enoate
SMILESCCOC(=O)CC/C=C/Cl
InChIInChI=1S/C7H11ClO2/c1-2-10-7(9)5-3-4-6-8/h4,6H,2-3,5H2,1H3/b6-4+
InChIKeyYNNGUMFVSJHNJV-GQCTYLIASA-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 4-pentenoate
CID 74786
Ethyl (4z)-5-chloropent-4-enoate
CID 129770111
4-Pentenoic acid propyl ester
CID 143865
Propanoic acid, 2-chloro, 3-butenyl ester
CID 523724
4-Penten-1-ol, chloroacetate
CID 527598
4-Pentenoic acid, 3-chloro-, methyl ester
CID 574806
Ethyl 3-chloropent-4-enoate
CID 11194508
Ethyl 5,5-dichloropent-4-enoate
CID 129810202
Propanoic acid, 2-chloro, 4-pentenyl ester
CID 523725
Propanoic acid, 3-chloro, 3-butenyl ester
CID 523732
Butanoic acid, 2-chloro, 3-butenyl ester
CID 527680
Butanoic acid, 2-chloro, 4-pentenyl ester
CID 527681

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-chloropent-4-enoate?
The IUPAC name of ethyl (E)-5-chloropent-4-enoate (CID 71664831) is ethyl (E)-5-chloropent-4-enoate.
What is the SMILES notation for ethyl (E)-5-chloropent-4-enoate?
The canonical SMILES for ethyl (E)-5-chloropent-4-enoate is CCOC(=O)CC/C=C/Cl.
What is the InChIKey of ethyl (E)-5-chloropent-4-enoate?
The InChIKey is YNNGUMFVSJHNJV-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11ClO2/c1-2-10-7(9)5-3-4-6-8/h4,6H,2-3,5H2,1H3/b6-4+.
What are the key properties of ethyl (E)-5-chloropent-4-enoate?
ethyl (E)-5-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 (E)-5-chloropent-4-enoate is sourced from PubChem (CID 71664831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).