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

C16H38Cl4O2P2Pd2 — CID 11377392

IUPACbis(ditert-butylphosphinous acid);bis(dichloropalladium)
SMILESCC(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/2C8H19OP.4ClH.2Pd/c2*1-7(2,3)10(9)8(4,5)6;;;;;;/h2*9H,1-6H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyWCPQPWHZOJIPEY-UHFFFAOYSA-J
MW679.08 g/mol
LogP8.70
Rot. Bonds

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

bis(ditert-butylphosphinous acid);bis(dichloropalladium) (PubChem CID 11377392) has the molecular formula C16H38Cl4O2P2Pd2 and a molecular weight of 679.08 g/mol. Its IUPAC name is bis(ditert-butylphosphinous acid);bis(dichloropalladium).

Molecular Properties

Compound Namebis(ditert-butylphosphinous acid);bis(dichloropalladium)
PubChem CID11377392
Molecular FormulaC16H38Cl4O2P2Pd2
Molecular Weight679.08 g/mol
Exact Mass675.92
IUPAC Namebis(ditert-butylphosphinous acid);bis(dichloropalladium)
SMILESCC(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/2C8H19OP.4ClH.2Pd/c2*1-7(2,3)10(9)8(4,5)6;;;;;;/h2*9H,1-6H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyWCPQPWHZOJIPEY-UHFFFAOYSA-J
XLogP8.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.08
LogP ≤ 58.70
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);bis(dichloropalladium)?
The IUPAC name of bis(ditert-butylphosphinous acid);bis(dichloropalladium) (CID 11377392) is bis(ditert-butylphosphinous acid);bis(dichloropalladium).
What is the SMILES notation for bis(ditert-butylphosphinous acid);bis(dichloropalladium)?
The canonical SMILES for bis(ditert-butylphosphinous acid);bis(dichloropalladium) is 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 bis(ditert-butylphosphinous acid);bis(dichloropalladium)?
The InChIKey is WCPQPWHZOJIPEY-UHFFFAOYSA-J. The full InChI is InChI=1S/2C8H19OP.4ClH.2Pd/c2*1-7(2,3)10(9)8(4,5)6;;;;;;/h2*9H,1-6H3;4*1H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(ditert-butylphosphinous acid);bis(dichloropalladium)?
bis(ditert-butylphosphinous acid);bis(dichloropalladium) has a molecular weight of 679.08 g/mol, XLogP of 8.70, 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);bis(dichloropalladium) is sourced from PubChem (CID 11377392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).