diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate

C12H18O5 — CID 15367226

IUPACdiethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(CC)COC1C(=O)OCC
InChIInChI=1S/C12H18O5/c1-4-8-7-17-10(12(14)16-6-3)9(8)11(13)15-5-2/h10H,4-7H2,1-3H3
InChIKeyQPDPZYNLEYOUSW-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.22
Rot. Bonds5

About diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate

diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate (PubChem CID 15367226) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
PubChem CID15367226
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Namediethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(CC)COC1C(=O)OCC
InChIInChI=1S/C12H18O5/c1-4-8-7-17-10(12(14)16-6-3)9(8)11(13)15-5-2/h10H,4-7H2,1-3H3
InChIKeyQPDPZYNLEYOUSW-UHFFFAOYSA-N
XLogP1.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
The IUPAC name of diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate (CID 15367226) is diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate.
What is the SMILES notation for diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
The canonical SMILES for diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate is CCOC(=O)C1=C(CC)COC1C(=O)OCC.
What is the InChIKey of diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
The InChIKey is QPDPZYNLEYOUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-4-8-7-17-10(12(14)16-6-3)9(8)11(13)15-5-2/h10H,4-7H2,1-3H3.
What are the key properties of diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate has a molecular weight of 242.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate is sourced from PubChem (CID 15367226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).