diethyl 6-oxopyran-2,3-dicarboxylate

C11H12O6 — CID 102229708

IUPACdiethyl 6-oxopyran-2,3-dicarboxylate
SMILESCCOC(=O)c1ccc(=O)oc1C(=O)OCC
InChIInChI=1S/C11H12O6/c1-3-15-10(13)7-5-6-8(12)17-9(7)11(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKeySPWOGTLXMNAKCL-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.99
Rot. Bonds4

About diethyl 6-oxopyran-2,3-dicarboxylate

diethyl 6-oxopyran-2,3-dicarboxylate (PubChem CID 102229708) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is diethyl 6-oxopyran-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-oxopyran-2,3-dicarboxylate
PubChem CID102229708
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namediethyl 6-oxopyran-2,3-dicarboxylate
SMILESCCOC(=O)c1ccc(=O)oc1C(=O)OCC
InChIInChI=1S/C11H12O6/c1-3-15-10(13)7-5-6-8(12)17-9(7)11(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKeySPWOGTLXMNAKCL-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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Related Compounds

ethyl 6-oxo-3-propylpyran-2-carboxylate
CID 164685051
ethyl 8-acetyl-2-oxochromene-7-carboxylate
CID 101430630
4,8-bis(ethoxycarbonyl)naphthalene-1,5-dicarboxylic acid
CID 54479928
2,5-bis(ethoxycarbonyl)furan-3,4-diolate
CID 3453861
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
ethyl 2-(6-ethoxycarbonyl-2,3-dimethylphenyl)-3,4-dimethylbenzoate
CID 12546776
ethyl 3-carbamoylfuran-2-carboxylate
CID 24973056
diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane
CID 174586707
ethyl 4-amino-2,3-diethoxybenzoate
CID 69259222
diethyl 5-(4-nitrophenyl)furan-2,3-dicarboxylate
CID 164671795
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethyl 4-amino-2,3-dihydroxybenzoate
CID 174666783

Frequently Asked Questions

What is the IUPAC name of diethyl 6-oxopyran-2,3-dicarboxylate?
The IUPAC name of diethyl 6-oxopyran-2,3-dicarboxylate (CID 102229708) is diethyl 6-oxopyran-2,3-dicarboxylate.
What is the SMILES notation for diethyl 6-oxopyran-2,3-dicarboxylate?
The canonical SMILES for diethyl 6-oxopyran-2,3-dicarboxylate is CCOC(=O)c1ccc(=O)oc1C(=O)OCC.
What is the InChIKey of diethyl 6-oxopyran-2,3-dicarboxylate?
The InChIKey is SPWOGTLXMNAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-3-15-10(13)7-5-6-8(12)17-9(7)11(14)16-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of diethyl 6-oxopyran-2,3-dicarboxylate?
diethyl 6-oxopyran-2,3-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 6-oxopyran-2,3-dicarboxylate is sourced from PubChem (CID 102229708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).