palladium;tritert-butylphosphane;bromide

C12H27BrPPd- — CID 71317307

IUPACpalladium;tritert-butylphosphane;bromide
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.[Br-].[Pd]
InChIInChI=1S/C12H27P.BrH.Pd/c1-10(2,3)13(11(4,5)6)12(7,8)9;;/h1-9H3;1H;/p-1
InChIKeyWIADNXKBAGKNOT-UHFFFAOYSA-M
MW388.65 g/mol
LogP1.87
Rot. Bonds

About palladium;tritert-butylphosphane;bromide

palladium;tritert-butylphosphane;bromide (PubChem CID 71317307) has the molecular formula C12H27BrPPd- and a molecular weight of 388.65 g/mol. Its IUPAC name is palladium;tritert-butylphosphane;bromide.

Molecular Properties

Compound Namepalladium;tritert-butylphosphane;bromide
PubChem CID71317307
Molecular FormulaC12H27BrPPd-
Molecular Weight388.65 g/mol
Exact Mass387.01
IUPAC Namepalladium;tritert-butylphosphane;bromide
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.[Br-].[Pd]
InChIInChI=1S/C12H27P.BrH.Pd/c1-10(2,3)13(11(4,5)6)12(7,8)9;;/h1-9H3;1H;/p-1
InChIKeyWIADNXKBAGKNOT-UHFFFAOYSA-M
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.65
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of palladium;tritert-butylphosphane;bromide?
The IUPAC name of palladium;tritert-butylphosphane;bromide (CID 71317307) is palladium;tritert-butylphosphane;bromide.
What is the SMILES notation for palladium;tritert-butylphosphane;bromide?
The canonical SMILES for palladium;tritert-butylphosphane;bromide is CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Br-].[Pd].
What is the InChIKey of palladium;tritert-butylphosphane;bromide?
The InChIKey is WIADNXKBAGKNOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27P.BrH.Pd/c1-10(2,3)13(11(4,5)6)12(7,8)9;;/h1-9H3;1H;/p-1.
What are the key properties of palladium;tritert-butylphosphane;bromide?
palladium;tritert-butylphosphane;bromide has a molecular weight of 388.65 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;tritert-butylphosphane;bromide is sourced from PubChem (CID 71317307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).