tris(cyclohexane);palladium;phosphane

C18H36PPd-3 — CID 174465923

IUPACtris(cyclohexane);palladium;phosphane
SMILESP.[CH-]1CCCCC1.[CH-]1CCCCC1.[CH-]1CCCCC1.[Pd]
InChIInChI=1S/3C6H11.H3P.Pd/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H3;/q3*-1;;
InChIKeyUQAFHCRTRIVXPY-UHFFFAOYSA-N
MW389.88 g/mol
LogP6.52
Rot. Bonds

About tris(cyclohexane);palladium;phosphane

tris(cyclohexane);palladium;phosphane (PubChem CID 174465923) has the molecular formula C18H36PPd-3 and a molecular weight of 389.88 g/mol. Its IUPAC name is tris(cyclohexane);palladium;phosphane.

Molecular Properties

Compound Nametris(cyclohexane);palladium;phosphane
PubChem CID174465923
Molecular FormulaC18H36PPd-3
Molecular Weight389.88 g/mol
Exact Mass389.16
IUPAC Nametris(cyclohexane);palladium;phosphane
SMILESP.[CH-]1CCCCC1.[CH-]1CCCCC1.[CH-]1CCCCC1.[Pd]
InChIInChI=1S/3C6H11.H3P.Pd/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H3;/q3*-1;;
InChIKeyUQAFHCRTRIVXPY-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(cyclohexane);palladium;phosphane?
The IUPAC name of tris(cyclohexane);palladium;phosphane (CID 174465923) is tris(cyclohexane);palladium;phosphane.
What is the SMILES notation for tris(cyclohexane);palladium;phosphane?
The canonical SMILES for tris(cyclohexane);palladium;phosphane is P.[CH-]1CCCCC1.[CH-]1CCCCC1.[CH-]1CCCCC1.[Pd].
What is the InChIKey of tris(cyclohexane);palladium;phosphane?
The InChIKey is UQAFHCRTRIVXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H11.H3P.Pd/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H3;/q3*-1;;.
What are the key properties of tris(cyclohexane);palladium;phosphane?
tris(cyclohexane);palladium;phosphane has a molecular weight of 389.88 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclohexane);palladium;phosphane is sourced from PubChem (CID 174465923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).