palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride

C8H8Cl2O3Pd — CID 173401083

IUPACpalladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride
SMILESO=C1OC(=O)C2=C1CCCC2.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/C8H8O3.2ClH.Pd/c9-7-5-3-1-2-4-6(5)8(10)11-7;;;/h1-4H2;2*1H;/q;;;+2/p-2
InChIKeyGNZYNYQNMUCXDU-UHFFFAOYSA-L
MW329.48 g/mol
LogP-5.05
Rot. Bonds

About palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride

palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride (PubChem CID 173401083) has the molecular formula C8H8Cl2O3Pd and a molecular weight of 329.48 g/mol. Its IUPAC name is palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride.

Molecular Properties

Compound Namepalladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride
PubChem CID173401083
Molecular FormulaC8H8Cl2O3Pd
Molecular Weight329.48 g/mol
Exact Mass327.89
IUPAC Namepalladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride
SMILESO=C1OC(=O)C2=C1CCCC2.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/C8H8O3.2ClH.Pd/c9-7-5-3-1-2-4-6(5)8(10)11-7;;;/h1-4H2;2*1H;/q;;;+2/p-2
InChIKeyGNZYNYQNMUCXDU-UHFFFAOYSA-L
XLogP-5.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 5-5.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride?
The IUPAC name of palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride (CID 173401083) is palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride.
What is the SMILES notation for palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride?
The canonical SMILES for palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride is O=C1OC(=O)C2=C1CCCC2.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride?
The InChIKey is GNZYNYQNMUCXDU-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8O3.2ClH.Pd/c9-7-5-3-1-2-4-6(5)8(10)11-7;;;/h1-4H2;2*1H;/q;;;+2/p-2.
What are the key properties of palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride?
palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride has a molecular weight of 329.48 g/mol, XLogP of -5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride is sourced from PubChem (CID 173401083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).