bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)

C32H72O2P2Pd — CID 174928811

IUPACbis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)[O-].CC(C)(C)[O-].[Pd+2]
InChIInChI=1S/2C12H27P.2C4H9O.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;2*1-4(2,3)5;/h2*1-9H3;2*1-3H3;/q;;2*-1;+2
InChIKeyDYLBZDJUAKMRPA-UHFFFAOYSA-N
MW657.29 g/mol
LogP10.02
Rot. Bonds

About bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)

bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane) (PubChem CID 174928811) has the molecular formula C32H72O2P2Pd and a molecular weight of 657.29 g/mol. Its IUPAC name is bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane).

Molecular Properties

Compound Namebis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)
PubChem CID174928811
Molecular FormulaC32H72O2P2Pd
Molecular Weight657.29 g/mol
Exact Mass656.40
IUPAC Namebis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)[O-].CC(C)(C)[O-].[Pd+2]
InChIInChI=1S/2C12H27P.2C4H9O.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;2*1-4(2,3)5;/h2*1-9H3;2*1-3H3;/q;;2*-1;+2
InChIKeyDYLBZDJUAKMRPA-UHFFFAOYSA-N
XLogP10.02
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.29
LogP ≤ 510.02
H-Bond Donors ≤ 50
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(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)?
The IUPAC name of bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane) (CID 174928811) is bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane).
What is the SMILES notation for bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)?
The canonical SMILES for bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane) is CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)[O-].CC(C)(C)[O-].[Pd+2].
What is the InChIKey of bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)?
The InChIKey is DYLBZDJUAKMRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H27P.2C4H9O.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;2*1-4(2,3)5;/h2*1-9H3;2*1-3H3;/q;;2*-1;+2.
What are the key properties of bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)?
bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane) has a molecular weight of 657.29 g/mol, XLogP of 10.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane) is sourced from PubChem (CID 174928811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).