diethyl 2-ethoxyfuran-3,4-dicarboxylate

C12H16O6 — CID 12708714

IUPACdiethyl 2-ethoxyfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1coc(OCC)c1C(=O)OCC
InChIInChI=1S/C12H16O6/c1-4-15-10(13)8-7-18-12(17-6-3)9(8)11(14)16-5-2/h7H,4-6H2,1-3H3
InChIKeyMWXATAJDOWMECB-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.03
Rot. Bonds6

About diethyl 2-ethoxyfuran-3,4-dicarboxylate

diethyl 2-ethoxyfuran-3,4-dicarboxylate (PubChem CID 12708714) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is diethyl 2-ethoxyfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-ethoxyfuran-3,4-dicarboxylate
PubChem CID12708714
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Namediethyl 2-ethoxyfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1coc(OCC)c1C(=O)OCC
InChIInChI=1S/C12H16O6/c1-4-15-10(13)8-7-18-12(17-6-3)9(8)11(14)16-5-2/h7H,4-6H2,1-3H3
InChIKeyMWXATAJDOWMECB-UHFFFAOYSA-N
XLogP2.03
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-acetyl-5-methylfuran-3-carboxylate
CID 135057105
bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate
CID 70628959
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
ethyl 4-amino-2,3-diethoxybenzoate
CID 69259222
ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate
CID 43839823
ethyl 4-methyl-1-benzofuran-3-carboxylate
CID 175669045
ethane;ethyl 5,6-dihydro-1-benzofuran-3-carboxylate
CID 143659306
ethyl 5-chloro-2,3,4-triethoxybenzoate
CID 96709826
diethyl 3,4-dimethylbenzene-1,2-dicarboxylate
CID 66647906
ethyl 5,7-dihydroxy-4-oxochromene-3-carboxylate
CID 46886209
ethyl 4-bromo-7-methyl-1-benzofuran-3-carboxylate
CID 107287190

Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethoxyfuran-3,4-dicarboxylate?
The IUPAC name of diethyl 2-ethoxyfuran-3,4-dicarboxylate (CID 12708714) is diethyl 2-ethoxyfuran-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-ethoxyfuran-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-ethoxyfuran-3,4-dicarboxylate is CCOC(=O)c1coc(OCC)c1C(=O)OCC.
What is the InChIKey of diethyl 2-ethoxyfuran-3,4-dicarboxylate?
The InChIKey is MWXATAJDOWMECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-4-15-10(13)8-7-18-12(17-6-3)9(8)11(14)16-5-2/h7H,4-6H2,1-3H3.
What are the key properties of diethyl 2-ethoxyfuran-3,4-dicarboxylate?
diethyl 2-ethoxyfuran-3,4-dicarboxylate has a molecular weight of 256.25 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethoxyfuran-3,4-dicarboxylate is sourced from PubChem (CID 12708714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).