1,1'-biphenyl;palladium(2+);diacetate

C16H16O4Pd — CID 173036521

IUPAC1,1'-biphenyl;palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C2H4O2.Pd/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2(3)4;/h1-10H;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeySEBJENAWPPPYSW-UHFFFAOYSA-L
MW378.72 g/mol
LogP0.86
Rot. Bonds1

About 1,1'-biphenyl;palladium(2+);diacetate

1,1'-biphenyl;palladium(2+);diacetate (PubChem CID 173036521) has the molecular formula C16H16O4Pd and a molecular weight of 378.72 g/mol. Its IUPAC name is 1,1'-biphenyl;palladium(2+);diacetate.

Molecular Properties

Compound Name1,1'-biphenyl;palladium(2+);diacetate
PubChem CID173036521
Molecular FormulaC16H16O4Pd
Molecular Weight378.72 g/mol
Exact Mass378.01
IUPAC Name1,1'-biphenyl;palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C2H4O2.Pd/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2(3)4;/h1-10H;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeySEBJENAWPPPYSW-UHFFFAOYSA-L
XLogP0.86
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.72
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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palladium(2+);triphenylphosphane;diacetate
CID 11554889
azane;phenylmercury(1+);acetate
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1,1'-biphenyl;propanoyl bromide
CID 175328868
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
copper(1+);tris(triphenylphosphane);acetate
CID 56954258
methylmercury(1+);phenylmercury(1+);acetate;chloride
CID 67854613
1-azulen-2-ylethanone
CID 15255141
copper(1+);bis(triphenylphosphane);acetate
CID 175797724

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;palladium(2+);diacetate?
The IUPAC name of 1,1'-biphenyl;palladium(2+);diacetate (CID 173036521) is 1,1'-biphenyl;palladium(2+);diacetate.
What is the SMILES notation for 1,1'-biphenyl;palladium(2+);diacetate?
The canonical SMILES for 1,1'-biphenyl;palladium(2+);diacetate is CC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;palladium(2+);diacetate?
The InChIKey is SEBJENAWPPPYSW-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10.2C2H4O2.Pd/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2(3)4;/h1-10H;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of 1,1'-biphenyl;palladium(2+);diacetate?
1,1'-biphenyl;palladium(2+);diacetate has a molecular weight of 378.72 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;palladium(2+);diacetate is sourced from PubChem (CID 173036521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).