diethyl 3H-furan-2,2-dicarboxylate

C10H14O5 — CID 140978814

IUPACdiethyl 3H-furan-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=CO1
InChIInChI=1S/C10H14O5/c1-3-13-8(11)10(6-5-7-15-10)9(12)14-4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyHEDRVPXTIVFPSB-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.79
Rot. Bonds4

About diethyl 3H-furan-2,2-dicarboxylate

diethyl 3H-furan-2,2-dicarboxylate (PubChem CID 140978814) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is diethyl 3H-furan-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3H-furan-2,2-dicarboxylate
PubChem CID140978814
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namediethyl 3H-furan-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=CO1
InChIInChI=1S/C10H14O5/c1-3-13-8(11)10(6-5-7-15-10)9(12)14-4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyHEDRVPXTIVFPSB-UHFFFAOYSA-N
XLogP0.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 3H-furan-2,2-dicarboxylate?
The IUPAC name of diethyl 3H-furan-2,2-dicarboxylate (CID 140978814) is diethyl 3H-furan-2,2-dicarboxylate.
What is the SMILES notation for diethyl 3H-furan-2,2-dicarboxylate?
The canonical SMILES for diethyl 3H-furan-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=CO1.
What is the InChIKey of diethyl 3H-furan-2,2-dicarboxylate?
The InChIKey is HEDRVPXTIVFPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-13-8(11)10(6-5-7-15-10)9(12)14-4-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of diethyl 3H-furan-2,2-dicarboxylate?
diethyl 3H-furan-2,2-dicarboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3H-furan-2,2-dicarboxylate is sourced from PubChem (CID 140978814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).