diethyl 4-oxopyran-2,5-dicarboxylate

C11H12O6 — CID 73212109

IUPACdiethyl 4-oxopyran-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(=O)c(C(=O)OCC)co1
InChIInChI=1S/C11H12O6/c1-3-15-10(13)7-6-17-9(5-8(7)12)11(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKeyRNIVGJYWHHSMKA-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.99
Rot. Bonds4

About diethyl 4-oxopyran-2,5-dicarboxylate

diethyl 4-oxopyran-2,5-dicarboxylate (PubChem CID 73212109) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is diethyl 4-oxopyran-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-oxopyran-2,5-dicarboxylate
PubChem CID73212109
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namediethyl 4-oxopyran-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(=O)c(C(=O)OCC)co1
InChIInChI=1S/C11H12O6/c1-3-15-10(13)7-6-17-9(5-8(7)12)11(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKeyRNIVGJYWHHSMKA-UHFFFAOYSA-N
XLogP0.99
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-oxopyran-2,5-dicarboxylate?
The IUPAC name of diethyl 4-oxopyran-2,5-dicarboxylate (CID 73212109) is diethyl 4-oxopyran-2,5-dicarboxylate.
What is the SMILES notation for diethyl 4-oxopyran-2,5-dicarboxylate?
The canonical SMILES for diethyl 4-oxopyran-2,5-dicarboxylate is CCOC(=O)c1cc(=O)c(C(=O)OCC)co1.
What is the InChIKey of diethyl 4-oxopyran-2,5-dicarboxylate?
The InChIKey is RNIVGJYWHHSMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-3-15-10(13)7-6-17-9(5-8(7)12)11(14)16-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of diethyl 4-oxopyran-2,5-dicarboxylate?
diethyl 4-oxopyran-2,5-dicarboxylate has a molecular weight of 240.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-oxopyran-2,5-dicarboxylate is sourced from PubChem (CID 73212109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).