ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate

C11H16O4 — CID 11138414

IUPACethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CCC=O)CCCC1=O
InChIInChI=1S/C11H16O4/c1-2-15-10(14)11(7-4-8-12)6-3-5-9(11)13/h8H,2-7H2,1H3
InChIKeyIASBOYCSCKMQCG-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.27
Rot. Bonds5

About ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate

ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate (PubChem CID 11138414) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate
PubChem CID11138414
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CCC=O)CCCC1=O
InChIInChI=1S/C11H16O4/c1-2-15-10(14)11(7-4-8-12)6-3-5-9(11)13/h8H,2-7H2,1H3
InChIKeyIASBOYCSCKMQCG-UHFFFAOYSA-N
XLogP1.27
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate (CID 11138414) is ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate is CCOC(=O)C1(CCC=O)CCCC1=O.
What is the InChIKey of ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate?
The InChIKey is IASBOYCSCKMQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-15-10(14)11(7-4-8-12)6-3-5-9(11)13/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate?
ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1-(3-oxopropyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 11138414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).