ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate

C15H20O4 — CID 70540706

IUPACethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate
SMILESCCOC(=O)C(=O)CCC/C=C\CC1=CCCC1=O
InChIInChI=1S/C15H20O4/c1-2-19-15(18)14(17)10-6-4-3-5-8-12-9-7-11-13(12)16/h3,5,9H,2,4,6-8,10-11H2,1H3/b5-3-
InChIKeyCPWKXVFXWCULHM-HYXAFXHYSA-N
MW264.32 g/mol
LogP2.52
Rot. Bonds8

About ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate

ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate (PubChem CID 70540706) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate
PubChem CID70540706
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate
SMILESCCOC(=O)C(=O)CCC/C=C\CC1=CCCC1=O
InChIInChI=1S/C15H20O4/c1-2-19-15(18)14(17)10-6-4-3-5-8-12-9-7-11-13(12)16/h3,5,9H,2,4,6-8,10-11H2,1H3/b5-3-
InChIKeyCPWKXVFXWCULHM-HYXAFXHYSA-N
XLogP2.52
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate?
The IUPAC name of ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate (CID 70540706) is ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate.
What is the SMILES notation for ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate?
The canonical SMILES for ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate is CCOC(=O)C(=O)CCC/C=C\CC1=CCCC1=O.
What is the InChIKey of ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate?
The InChIKey is CPWKXVFXWCULHM-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-19-15(18)14(17)10-6-4-3-5-8-12-9-7-11-13(12)16/h3,5,9H,2,4,6-8,10-11H2,1H3/b5-3-.
What are the key properties of ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate?
ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-oxo-8-(5-oxocyclopenten-1-yl)oct-6-enoate is sourced from PubChem (CID 70540706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).