ethyl (Z)-5-oxopent-3-enoate

C7H10O3 — CID 89203017

IUPACethyl (Z)-5-oxopent-3-enoate
SMILESCCOC(=O)C/C=C\C=O
InChIInChI=1S/C7H10O3/c1-2-10-7(9)5-3-4-6-8/h3-4,6H,2,5H2,1H3/b4-3-
InChIKeyPODUJDZTVDJOCV-ARJAWSKDSA-N
MW142.15 g/mol
LogP0.69
Rot. Bonds4

About ethyl (Z)-5-oxopent-3-enoate

ethyl (Z)-5-oxopent-3-enoate (PubChem CID 89203017) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is ethyl (Z)-5-oxopent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-oxopent-3-enoate
PubChem CID89203017
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameethyl (Z)-5-oxopent-3-enoate
SMILESCCOC(=O)C/C=C\C=O
InChIInChI=1S/C7H10O3/c1-2-10-7(9)5-3-4-6-8/h3-4,6H,2,5H2,1H3/b4-3-
InChIKeyPODUJDZTVDJOCV-ARJAWSKDSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl hexa-3,5-dienoate
CID 54153384
ethyl (Z)-4-hydroxybut-3-enoate
CID 173168664
alumane;ethyl 3-oxopropanoate
CID 173333802
ethyl hept-3-enoate
CID 533698
ethyl (E)-5-oxohex-3-enoate
CID 15568425
potassium;ethyl 3-oxopropanoate;hydride
CID 174389655
ethyl (3Z,6Z)-nona-3,6-dienoate
CID 122667686
ethyl 5-methylhexa-3,5-dienoate
CID 54020800
ethyl (E)-4-methyl-6-oxohex-4-enoate
CID 125476644
ethyl (3Z,6Z)-dodeca-3,6-dienoate
CID 134980276
[(E,2S)-6-ethoxy-6-oxohex-3-en-2-yl]-trifluoroboranuide
CID 132511403
diethyl hexanedioate
CID 160747628

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-oxopent-3-enoate?
The IUPAC name of ethyl (Z)-5-oxopent-3-enoate (CID 89203017) is ethyl (Z)-5-oxopent-3-enoate.
What is the SMILES notation for ethyl (Z)-5-oxopent-3-enoate?
The canonical SMILES for ethyl (Z)-5-oxopent-3-enoate is CCOC(=O)C/C=C\C=O.
What is the InChIKey of ethyl (Z)-5-oxopent-3-enoate?
The InChIKey is PODUJDZTVDJOCV-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-10-7(9)5-3-4-6-8/h3-4,6H,2,5H2,1H3/b4-3-.
What are the key properties of ethyl (Z)-5-oxopent-3-enoate?
ethyl (Z)-5-oxopent-3-enoate has a molecular weight of 142.15 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-oxopent-3-enoate is sourced from PubChem (CID 89203017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).