bis(2-benzofuran-1,3-dione);ethane

C20H20O6 — CID 143680396

IUPACbis(2-benzofuran-1,3-dione);ethane
SMILESCC.CC.O=C1OC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21
InChIInChI=1S/2C8H4O3.2C2H6/c2*9-7-5-3-1-2-4-6(5)8(10)11-7;2*1-2/h2*1-4H;2*1-2H3
InChIKeyOTKXZBMWHYVOPU-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.05
Rot. Bonds

About bis(2-benzofuran-1,3-dione);ethane

bis(2-benzofuran-1,3-dione);ethane (PubChem CID 143680396) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is bis(2-benzofuran-1,3-dione);ethane.

Molecular Properties

Compound Namebis(2-benzofuran-1,3-dione);ethane
PubChem CID143680396
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Namebis(2-benzofuran-1,3-dione);ethane
SMILESCC.CC.O=C1OC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21
InChIInChI=1S/2C8H4O3.2C2H6/c2*9-7-5-3-1-2-4-6(5)8(10)11-7;2*1-2/h2*1-4H;2*1-2H3
InChIKeyOTKXZBMWHYVOPU-UHFFFAOYSA-N
XLogP4.05
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis(2-benzofuran-1,3-dione);ethane?
The IUPAC name of bis(2-benzofuran-1,3-dione);ethane (CID 143680396) is bis(2-benzofuran-1,3-dione);ethane.
What is the SMILES notation for bis(2-benzofuran-1,3-dione);ethane?
The canonical SMILES for bis(2-benzofuran-1,3-dione);ethane is CC.CC.O=C1OC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21.
What is the InChIKey of bis(2-benzofuran-1,3-dione);ethane?
The InChIKey is OTKXZBMWHYVOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H4O3.2C2H6/c2*9-7-5-3-1-2-4-6(5)8(10)11-7;2*1-2/h2*1-4H;2*1-2H3.
What are the key properties of bis(2-benzofuran-1,3-dione);ethane?
bis(2-benzofuran-1,3-dione);ethane has a molecular weight of 356.37 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzofuran-1,3-dione);ethane is sourced from PubChem (CID 143680396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).