diethyl 5-methylfuran-2,3-dicarboxylate

C11H14O5 — CID 12691734

IUPACdiethyl 5-methylfuran-2,3-dicarboxylate
SMILESCCOC(=O)c1cc(C)oc1C(=O)OCC
InChIInChI=1S/C11H14O5/c1-4-14-10(12)8-6-7(3)16-9(8)11(13)15-5-2/h6H,4-5H2,1-3H3
InChIKeyOXESRBPOULNNOP-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.94
Rot. Bonds4

About diethyl 5-methylfuran-2,3-dicarboxylate

diethyl 5-methylfuran-2,3-dicarboxylate (PubChem CID 12691734) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is diethyl 5-methylfuran-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-methylfuran-2,3-dicarboxylate
PubChem CID12691734
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namediethyl 5-methylfuran-2,3-dicarboxylate
SMILESCCOC(=O)c1cc(C)oc1C(=O)OCC
InChIInChI=1S/C11H14O5/c1-4-14-10(12)8-6-7(3)16-9(8)11(13)15-5-2/h6H,4-5H2,1-3H3
InChIKeyOXESRBPOULNNOP-UHFFFAOYSA-N
XLogP1.94
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 5-methylfuran-2,3-dicarboxylate?
The IUPAC name of diethyl 5-methylfuran-2,3-dicarboxylate (CID 12691734) is diethyl 5-methylfuran-2,3-dicarboxylate.
What is the SMILES notation for diethyl 5-methylfuran-2,3-dicarboxylate?
The canonical SMILES for diethyl 5-methylfuran-2,3-dicarboxylate is CCOC(=O)c1cc(C)oc1C(=O)OCC.
What is the InChIKey of diethyl 5-methylfuran-2,3-dicarboxylate?
The InChIKey is OXESRBPOULNNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-4-14-10(12)8-6-7(3)16-9(8)11(13)15-5-2/h6H,4-5H2,1-3H3.
What are the key properties of diethyl 5-methylfuran-2,3-dicarboxylate?
diethyl 5-methylfuran-2,3-dicarboxylate has a molecular weight of 226.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-methylfuran-2,3-dicarboxylate is sourced from PubChem (CID 12691734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).