ditert-butyl(phenyl)phosphane;dichloropalladium

C14H23Cl2PPd — CID 87286096

IUPACditert-butyl(phenyl)phosphane;dichloropalladium
SMILESCC(C)(C)P(c1ccccc1)C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/C14H23P.2ClH.Pd/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;;;/h7-11H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyQCYDWXAZYMICJZ-UHFFFAOYSA-L
MW399.64 g/mol
LogP5.77
Rot. Bonds1

About ditert-butyl(phenyl)phosphane;dichloropalladium

ditert-butyl(phenyl)phosphane;dichloropalladium (PubChem CID 87286096) has the molecular formula C14H23Cl2PPd and a molecular weight of 399.64 g/mol. Its IUPAC name is ditert-butyl(phenyl)phosphane;dichloropalladium.

Molecular Properties

Compound Nameditert-butyl(phenyl)phosphane;dichloropalladium
PubChem CID87286096
Molecular FormulaC14H23Cl2PPd
Molecular Weight399.64 g/mol
Exact Mass397.99
IUPAC Nameditert-butyl(phenyl)phosphane;dichloropalladium
SMILESCC(C)(C)P(c1ccccc1)C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/C14H23P.2ClH.Pd/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;;;/h7-11H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyQCYDWXAZYMICJZ-UHFFFAOYSA-L
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.64
LogP ≤ 55.77
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 ditert-butyl(phenyl)phosphane;dichloropalladium?
The IUPAC name of ditert-butyl(phenyl)phosphane;dichloropalladium (CID 87286096) is ditert-butyl(phenyl)phosphane;dichloropalladium.
What is the SMILES notation for ditert-butyl(phenyl)phosphane;dichloropalladium?
The canonical SMILES for ditert-butyl(phenyl)phosphane;dichloropalladium is CC(C)(C)P(c1ccccc1)C(C)(C)C.Cl[Pd]Cl.
What is the InChIKey of ditert-butyl(phenyl)phosphane;dichloropalladium?
The InChIKey is QCYDWXAZYMICJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H23P.2ClH.Pd/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;;;/h7-11H,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of ditert-butyl(phenyl)phosphane;dichloropalladium?
ditert-butyl(phenyl)phosphane;dichloropalladium has a molecular weight of 399.64 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(phenyl)phosphane;dichloropalladium is sourced from PubChem (CID 87286096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).