diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate

C11H16O7 — CID 21243556

IUPACdiethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate
SMILESCCOC(=O)C1OC(C)=C(O)C1(O)C(=O)OCC
InChIInChI=1S/C11H16O7/c1-4-16-9(13)8-11(15,10(14)17-5-2)7(12)6(3)18-8/h8,12,15H,4-5H2,1-3H3
InChIKeyIGPXMNFMRSJDFV-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.03
Rot. Bonds4

About diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate

diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate (PubChem CID 21243556) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate
PubChem CID21243556
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Namediethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate
SMILESCCOC(=O)C1OC(C)=C(O)C1(O)C(=O)OCC
InChIInChI=1S/C11H16O7/c1-4-16-9(13)8-11(15,10(14)17-5-2)7(12)6(3)18-8/h8,12,15H,4-5H2,1-3H3
InChIKeyIGPXMNFMRSJDFV-UHFFFAOYSA-N
XLogP0.03
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate?
The IUPAC name of diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate (CID 21243556) is diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate.
What is the SMILES notation for diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate?
The canonical SMILES for diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate is CCOC(=O)C1OC(C)=C(O)C1(O)C(=O)OCC.
What is the InChIKey of diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate?
The InChIKey is IGPXMNFMRSJDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O7/c1-4-16-9(13)8-11(15,10(14)17-5-2)7(12)6(3)18-8/h8,12,15H,4-5H2,1-3H3.
What are the key properties of diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate?
diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate has a molecular weight of 260.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate is sourced from PubChem (CID 21243556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).