tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium)

C32H76Cl4O4P4Pd2 — CID 11205385

IUPACtetrakis(ditert-butylphosphinous acid);bis(dichloropalladium)
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.Cl[Pd]Cl
InChIInChI=1S/4C8H19OP.4ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;;;/h4*9H,1-6H3;4*1H;;/q;;;;;;;;2*+2/p-4
InChIKeyYSKFVZKBJPEWMG-UHFFFAOYSA-J
MW1003.50 g/mol
LogP14.64
Rot. Bonds

About tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium)

tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium) (PubChem CID 11205385) has the molecular formula C32H76Cl4O4P4Pd2 and a molecular weight of 1003.50 g/mol. Its IUPAC name is tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium).

Molecular Properties

Compound Nametetrakis(ditert-butylphosphinous acid);bis(dichloropalladium)
PubChem CID11205385
Molecular FormulaC32H76Cl4O4P4Pd2
Molecular Weight1003.50 g/mol
Exact Mass1000.15
IUPAC Nametetrakis(ditert-butylphosphinous acid);bis(dichloropalladium)
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.Cl[Pd]Cl
InChIInChI=1S/4C8H19OP.4ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;;;/h4*9H,1-6H3;4*1H;;/q;;;;;;;;2*+2/p-4
InChIKeyYSKFVZKBJPEWMG-UHFFFAOYSA-J
XLogP14.64
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.50
LogP ≤ 514.64
H-Bond Donors ≤ 54
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 tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium)?
The IUPAC name of tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium) (CID 11205385) is tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium).
What is the SMILES notation for tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium)?
The canonical SMILES for tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium) 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.Cl[Pd]Cl.
What is the InChIKey of tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium)?
The InChIKey is YSKFVZKBJPEWMG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H19OP.4ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;;;/h4*9H,1-6H3;4*1H;;/q;;;;;;;;2*+2/p-4.
What are the key properties of tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium)?
tetrakis(ditert-butylphosphinous acid);bis(dichloropalladium) has a molecular weight of 1003.50 g/mol, XLogP of 14.64, 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(dichloropalladium) is sourced from PubChem (CID 11205385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).