bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid)

C32H74Cl2O4P4Pd2 — CID 11320543

IUPACbis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid)
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[Pd+].Cl[Pd+]
InChIInChI=1S/2C8H19OP.2C8H18OP.2ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;/h2*9H,1-6H3;2*1-6H3;2*1H;;/q;;2*-1;;;2*+2/p-2
InChIKeyMYMNADXFYNRONT-UHFFFAOYSA-L
MW930.58 g/mol
LogP12.00
Rot. Bonds

About bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid)

bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid) (PubChem CID 11320543) has the molecular formula C32H74Cl2O4P4Pd2 and a molecular weight of 930.58 g/mol. Its IUPAC name is bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid).

Molecular Properties

Compound Namebis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid)
PubChem CID11320543
Molecular FormulaC32H74Cl2O4P4Pd2
Molecular Weight930.58 g/mol
Exact Mass928.20
IUPAC Namebis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid)
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[Pd+].Cl[Pd+]
InChIInChI=1S/2C8H19OP.2C8H18OP.2ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;/h2*9H,1-6H3;2*1-6H3;2*1H;;/q;;2*-1;;;2*+2/p-2
InChIKeyMYMNADXFYNRONT-UHFFFAOYSA-L
XLogP12.00
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.58
LogP ≤ 512.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid)?
The IUPAC name of bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid) (CID 11320543) is bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid).
What is the SMILES notation for bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid)?
The canonical SMILES for bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid) 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[Pd+].Cl[Pd+].
What is the InChIKey of bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid)?
The InChIKey is MYMNADXFYNRONT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H19OP.2C8H18OP.2ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;/h2*9H,1-6H3;2*1-6H3;2*1H;;/q;;2*-1;;;2*+2/p-2.
What are the key properties of bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid)?
bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid) has a molecular weight of 930.58 g/mol, XLogP of 12.00, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloropalladium(1+));bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid) is sourced from PubChem (CID 11320543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).