tetraethyl furan-2,3,4,5-tetracarboxylate

C16H20O9 — CID 610755

IUPACtetraethyl furan-2,3,4,5-tetracarboxylate
SMILESCCOC(=O)c1oc(C(=O)OCC)c(C(=O)OCC)c1C(=O)OCC
InChIInChI=1S/C16H20O9/c1-5-21-13(17)9-10(14(18)22-6-2)12(16(20)24-8-4)25-11(9)15(19)23-7-3/h5-8H2,1-4H3
InChIKeyHFORHIGXTDXDSH-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.99
Rot. Bonds8

About tetraethyl furan-2,3,4,5-tetracarboxylate

tetraethyl furan-2,3,4,5-tetracarboxylate (PubChem CID 610755) has the molecular formula C16H20O9 and a molecular weight of 356.33 g/mol. Its IUPAC name is tetraethyl furan-2,3,4,5-tetracarboxylate.

Molecular Properties

Compound Nametetraethyl furan-2,3,4,5-tetracarboxylate
PubChem CID610755
Molecular FormulaC16H20O9
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Nametetraethyl furan-2,3,4,5-tetracarboxylate
SMILESCCOC(=O)c1oc(C(=O)OCC)c(C(=O)OCC)c1C(=O)OCC
InChIInChI=1S/C16H20O9/c1-5-21-13(17)9-10(14(18)22-6-2)12(16(20)24-8-4)25-11(9)15(19)23-7-3/h5-8H2,1-4H3
InChIKeyHFORHIGXTDXDSH-UHFFFAOYSA-N
XLogP1.99
TPSA118.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetraethyl furan-2,3,4,5-tetracarboxylate?
The IUPAC name of tetraethyl furan-2,3,4,5-tetracarboxylate (CID 610755) is tetraethyl furan-2,3,4,5-tetracarboxylate.
What is the SMILES notation for tetraethyl furan-2,3,4,5-tetracarboxylate?
The canonical SMILES for tetraethyl furan-2,3,4,5-tetracarboxylate is CCOC(=O)c1oc(C(=O)OCC)c(C(=O)OCC)c1C(=O)OCC.
What is the InChIKey of tetraethyl furan-2,3,4,5-tetracarboxylate?
The InChIKey is HFORHIGXTDXDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O9/c1-5-21-13(17)9-10(14(18)22-6-2)12(16(20)24-8-4)25-11(9)15(19)23-7-3/h5-8H2,1-4H3.
What are the key properties of tetraethyl furan-2,3,4,5-tetracarboxylate?
tetraethyl furan-2,3,4,5-tetracarboxylate has a molecular weight of 356.33 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl furan-2,3,4,5-tetracarboxylate is sourced from PubChem (CID 610755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).