ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate

C15H22O4 — CID 15573494

IUPACethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate
SMILESCCOC(=O)C(=O)CCCCCCC1=CCCC1=O
InChIInChI=1S/C15H22O4/c1-2-19-15(18)14(17)10-6-4-3-5-8-12-9-7-11-13(12)16/h9H,2-8,10-11H2,1H3
InChIKeyYCPSRVZAOLSAIR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.75
Rot. Bonds9

About ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate

ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate (PubChem CID 15573494) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate.

Molecular Properties

Compound Nameethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate
PubChem CID15573494
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate
SMILESCCOC(=O)C(=O)CCCCCCC1=CCCC1=O
InChIInChI=1S/C15H22O4/c1-2-19-15(18)14(17)10-6-4-3-5-8-12-9-7-11-13(12)16/h9H,2-8,10-11H2,1H3
InChIKeyYCPSRVZAOLSAIR-UHFFFAOYSA-N
XLogP2.75
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.75
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate?
The IUPAC name of ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate (CID 15573494) is ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate.
What is the SMILES notation for ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate?
The canonical SMILES for ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate is CCOC(=O)C(=O)CCCCCCC1=CCCC1=O.
What is the InChIKey of ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate?
The InChIKey is YCPSRVZAOLSAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-2-19-15(18)14(17)10-6-4-3-5-8-12-9-7-11-13(12)16/h9H,2-8,10-11H2,1H3.
What are the key properties of ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate?
ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate has a molecular weight of 266.34 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-8-(5-oxocyclopenten-1-yl)octanoate is sourced from PubChem (CID 15573494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).