palladium(2+);triphenylphosphane;diacetate

C22H21O4PPd — CID 11554889

IUPACpalladium(2+);triphenylphosphane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2C2H4O2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h1-15H;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyPEIYQTOXVAKKBN-UHFFFAOYSA-L
MW486.80 g/mol
LogP0.95
Rot. Bonds3

About palladium(2+);triphenylphosphane;diacetate

palladium(2+);triphenylphosphane;diacetate (PubChem CID 11554889) has the molecular formula C22H21O4PPd and a molecular weight of 486.80 g/mol. Its IUPAC name is palladium(2+);triphenylphosphane;diacetate.

Molecular Properties

Compound Namepalladium(2+);triphenylphosphane;diacetate
PubChem CID11554889
Molecular FormulaC22H21O4PPd
Molecular Weight486.80 g/mol
Exact Mass486.02
IUPAC Namepalladium(2+);triphenylphosphane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2C2H4O2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h1-15H;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyPEIYQTOXVAKKBN-UHFFFAOYSA-L
XLogP0.95
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.80
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 11967474
N,N-dimethylacetamide;triphenylphosphane
CID 88649560
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Frequently Asked Questions

What is the IUPAC name of palladium(2+);triphenylphosphane;diacetate?
The IUPAC name of palladium(2+);triphenylphosphane;diacetate (CID 11554889) is palladium(2+);triphenylphosphane;diacetate.
What is the SMILES notation for palladium(2+);triphenylphosphane;diacetate?
The canonical SMILES for palladium(2+);triphenylphosphane;diacetate is CC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of palladium(2+);triphenylphosphane;diacetate?
The InChIKey is PEIYQTOXVAKKBN-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15P.2C2H4O2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h1-15H;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of palladium(2+);triphenylphosphane;diacetate?
palladium(2+);triphenylphosphane;diacetate has a molecular weight of 486.80 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);triphenylphosphane;diacetate is sourced from PubChem (CID 11554889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).