ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate

C11H16O4 — CID 15741606

IUPACethyl 3-oxo-2-(2-oxocyclopentyl)butanoate
SMILESCCOC(=O)C(C(C)=O)C1CCCC1=O
InChIInChI=1S/C11H16O4/c1-3-15-11(14)10(7(2)12)8-5-4-6-9(8)13/h8,10H,3-6H2,1-2H3
InChIKeySWKXEGKWOQENLT-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.12
Rot. Bonds4

About ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate

ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate (PubChem CID 15741606) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate.

Molecular Properties

Compound Nameethyl 3-oxo-2-(2-oxocyclopentyl)butanoate
PubChem CID15741606
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 3-oxo-2-(2-oxocyclopentyl)butanoate
SMILESCCOC(=O)C(C(C)=O)C1CCCC1=O
InChIInChI=1S/C11H16O4/c1-3-15-11(14)10(7(2)12)8-5-4-6-9(8)13/h8,10H,3-6H2,1-2H3
InChIKeySWKXEGKWOQENLT-UHFFFAOYSA-N
XLogP1.12
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate?
The IUPAC name of ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate (CID 15741606) is ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate.
What is the SMILES notation for ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate?
The canonical SMILES for ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate is CCOC(=O)C(C(C)=O)C1CCCC1=O.
What is the InChIKey of ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate?
The InChIKey is SWKXEGKWOQENLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-15-11(14)10(7(2)12)8-5-4-6-9(8)13/h8,10H,3-6H2,1-2H3.
What are the key properties of ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate?
ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate has a molecular weight of 212.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-2-(2-oxocyclopentyl)butanoate is sourced from PubChem (CID 15741606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).