diethyl 4-oxocyclopentane-1,2-dicarboxylate

C11H16O5 — CID 533766

IUPACdiethyl 4-oxocyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(=O)CC1C(=O)OCC
InChIInChI=1S/C11H16O5/c1-3-15-10(13)8-5-7(12)6-9(8)11(14)16-4-2/h8-9H,3-6H2,1-2H3
InChIKeyGRPKMLGYFVVOJS-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.71
Rot. Bonds4

About diethyl 4-oxocyclopentane-1,2-dicarboxylate

diethyl 4-oxocyclopentane-1,2-dicarboxylate (PubChem CID 533766) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is diethyl 4-oxocyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-oxocyclopentane-1,2-dicarboxylate
PubChem CID533766
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namediethyl 4-oxocyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(=O)CC1C(=O)OCC
InChIInChI=1S/C11H16O5/c1-3-15-10(13)8-5-7(12)6-9(8)11(14)16-4-2/h8-9H,3-6H2,1-2H3
InChIKeyGRPKMLGYFVVOJS-UHFFFAOYSA-N
XLogP0.71
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-oxocyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl 4-oxocyclopentane-1,2-dicarboxylate (CID 533766) is diethyl 4-oxocyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-oxocyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-oxocyclopentane-1,2-dicarboxylate is CCOC(=O)C1CC(=O)CC1C(=O)OCC.
What is the InChIKey of diethyl 4-oxocyclopentane-1,2-dicarboxylate?
The InChIKey is GRPKMLGYFVVOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-3-15-10(13)8-5-7(12)6-9(8)11(14)16-4-2/h8-9H,3-6H2,1-2H3.
What are the key properties of diethyl 4-oxocyclopentane-1,2-dicarboxylate?
diethyl 4-oxocyclopentane-1,2-dicarboxylate has a molecular weight of 228.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-oxocyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 533766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).