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

C32H76Cl2O4P4Pd2+2 — CID 10284584

IUPACtetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride
SMILESCC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.[Cl-].[Cl-].[Pd+2].[Pd+2]
InChIInChI=1S/4C8H19OP.2ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;/h4*9H,1-6H3;2*1H;;/q;;;;;;2*+2/p-2
InChIKeyDYFMOBKRNAAOGH-UHFFFAOYSA-L
MW932.60 g/mol
LogP5.89
Rot. Bonds

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

tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride (PubChem CID 10284584) has the molecular formula C32H76Cl2O4P4Pd2+2 and a molecular weight of 932.60 g/mol. Its IUPAC name is tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride
PubChem CID10284584
Molecular FormulaC32H76Cl2O4P4Pd2+2
Molecular Weight932.60 g/mol
Exact Mass930.21
IUPAC Nametetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride
SMILESCC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.[Cl-].[Cl-].[Pd+2].[Pd+2]
InChIInChI=1S/4C8H19OP.2ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;/h4*9H,1-6H3;2*1H;;/q;;;;;;2*+2/p-2
InChIKeyDYFMOBKRNAAOGH-UHFFFAOYSA-L
XLogP5.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.60
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride?
The IUPAC name of tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride (CID 10284584) is tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride.
What is the SMILES notation for tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride?
The canonical SMILES for tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride is CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.[Cl-].[Cl-].[Pd+2].[Pd+2].
What is the InChIKey of tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride?
The InChIKey is DYFMOBKRNAAOGH-UHFFFAOYSA-L. The full InChI is InChI=1S/4C8H19OP.2ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;/h4*9H,1-6H3;2*1H;;/q;;;;;;2*+2/p-2.
What are the key properties of tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride?
tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride has a molecular weight of 932.60 g/mol, XLogP of 5.89, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(ditert-butylphosphinous acid);bis(palladium(2+));dichloride is sourced from PubChem (CID 10284584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).