bis(ditert-butylphosphinous acid);palladium(2+);dichloride

C16H38Cl2O2P2Pd — CID 10228867

IUPACbis(ditert-butylphosphinous acid);palladium(2+);dichloride
SMILESCC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C8H19OP.2ClH.Pd/c2*1-7(2,3)10(9)8(4,5)6;;;/h2*9H,1-6H3;2*1H;/q;;;;+2/p-2
InChIKeyHHSVHPCHXCOYTG-UHFFFAOYSA-L
MW501.75 g/mol
LogP-0.05
Rot. Bonds

About bis(ditert-butylphosphinous acid);palladium(2+);dichloride

bis(ditert-butylphosphinous acid);palladium(2+);dichloride (PubChem CID 10228867) has the molecular formula C16H38Cl2O2P2Pd and a molecular weight of 501.75 g/mol. Its IUPAC name is bis(ditert-butylphosphinous acid);palladium(2+);dichloride.

Molecular Properties

Compound Namebis(ditert-butylphosphinous acid);palladium(2+);dichloride
PubChem CID10228867
Molecular FormulaC16H38Cl2O2P2Pd
Molecular Weight501.75 g/mol
Exact Mass500.08
IUPAC Namebis(ditert-butylphosphinous acid);palladium(2+);dichloride
SMILESCC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C8H19OP.2ClH.Pd/c2*1-7(2,3)10(9)8(4,5)6;;;/h2*9H,1-6H3;2*1H;/q;;;;+2/p-2
InChIKeyHHSVHPCHXCOYTG-UHFFFAOYSA-L
XLogP-0.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.75
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(ditert-butylphosphinous acid);palladium(2+);dichloride?
The IUPAC name of bis(ditert-butylphosphinous acid);palladium(2+);dichloride (CID 10228867) is bis(ditert-butylphosphinous acid);palladium(2+);dichloride.
What is the SMILES notation for bis(ditert-butylphosphinous acid);palladium(2+);dichloride?
The canonical SMILES for bis(ditert-butylphosphinous acid);palladium(2+);dichloride is CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of bis(ditert-butylphosphinous acid);palladium(2+);dichloride?
The InChIKey is HHSVHPCHXCOYTG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H19OP.2ClH.Pd/c2*1-7(2,3)10(9)8(4,5)6;;;/h2*9H,1-6H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(ditert-butylphosphinous acid);palladium(2+);dichloride?
bis(ditert-butylphosphinous acid);palladium(2+);dichloride has a molecular weight of 501.75 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ditert-butylphosphinous acid);palladium(2+);dichloride is sourced from PubChem (CID 10228867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).