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

C20H18O7 — CID 87972928

IUPACbis(2-benzofuran-1,3-dione);ethoxyethane
SMILESCCOCC.O=C1OC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21
InChIInChI=1S/2C8H4O3.C4H10O/c2*9-7-5-3-1-2-4-6(5)8(10)11-7;1-3-5-4-2/h2*1-4H;3-4H2,1-2H3
InChIKeySVZXCFGZQZLESN-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.04
Rot. Bonds2

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

bis(2-benzofuran-1,3-dione);ethoxyethane (PubChem CID 87972928) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is bis(2-benzofuran-1,3-dione);ethoxyethane.

Molecular Properties

Compound Namebis(2-benzofuran-1,3-dione);ethoxyethane
PubChem CID87972928
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Namebis(2-benzofuran-1,3-dione);ethoxyethane
SMILESCCOCC.O=C1OC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21
InChIInChI=1S/2C8H4O3.C4H10O/c2*9-7-5-3-1-2-4-6(5)8(10)11-7;1-3-5-4-2/h2*1-4H;3-4H2,1-2H3
InChIKeySVZXCFGZQZLESN-UHFFFAOYSA-N
XLogP3.04
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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);ethoxyethane?
The IUPAC name of bis(2-benzofuran-1,3-dione);ethoxyethane (CID 87972928) is bis(2-benzofuran-1,3-dione);ethoxyethane.
What is the SMILES notation for bis(2-benzofuran-1,3-dione);ethoxyethane?
The canonical SMILES for bis(2-benzofuran-1,3-dione);ethoxyethane is CCOCC.O=C1OC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21.
What is the InChIKey of bis(2-benzofuran-1,3-dione);ethoxyethane?
The InChIKey is SVZXCFGZQZLESN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H4O3.C4H10O/c2*9-7-5-3-1-2-4-6(5)8(10)11-7;1-3-5-4-2/h2*1-4H;3-4H2,1-2H3.
What are the key properties of bis(2-benzofuran-1,3-dione);ethoxyethane?
bis(2-benzofuran-1,3-dione);ethoxyethane has a molecular weight of 370.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzofuran-1,3-dione);ethoxyethane is sourced from PubChem (CID 87972928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).