2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid

C14H12O6 — CID 137370721

IUPAC2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid
SMILESO=C(O)[C@H]1[C@@H](c2ccco2)[C@@H](C(=O)O)[C@H]1c1ccco1
InChIInChI=1S/C14H12O6/c15-13(16)11-9(7-3-1-5-19-7)12(14(17)18)10(11)8-4-2-6-20-8/h1-6,9-12H,(H,15,16)(H,17,18)/t9-,10+,11+,12-
InChIKeyNNZCPCPSOTWZLY-IWDIQUIJSA-N
MW276.24 g/mol
LogP2.16
Rot. Bonds4

About 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid

2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid (PubChem CID 137370721) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid
PubChem CID137370721
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid
SMILESO=C(O)[C@H]1[C@@H](c2ccco2)[C@@H](C(=O)O)[C@H]1c1ccco1
InChIInChI=1S/C14H12O6/c15-13(16)11-9(7-3-1-5-19-7)12(14(17)18)10(11)8-4-2-6-20-8/h1-6,9-12H,(H,15,16)(H,17,18)/t9-,10+,11+,12-
InChIKeyNNZCPCPSOTWZLY-IWDIQUIJSA-N
XLogP2.16
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid?
The IUPAC name of 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid (CID 137370721) is 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid.
What is the SMILES notation for 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid?
The canonical SMILES for 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid is O=C(O)[C@H]1[C@@H](c2ccco2)[C@@H](C(=O)O)[C@H]1c1ccco1.
What is the InChIKey of 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid?
The InChIKey is NNZCPCPSOTWZLY-IWDIQUIJSA-N. The full InChI is InChI=1S/C14H12O6/c15-13(16)11-9(7-3-1-5-19-7)12(14(17)18)10(11)8-4-2-6-20-8/h1-6,9-12H,(H,15,16)(H,17,18)/t9-,10+,11+,12-.
What are the key properties of 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid?
2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid has a molecular weight of 276.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid is sourced from PubChem (CID 137370721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).