palladium(2+);bis(tricyclohexylphosphane);diacetate

C40H72O4P2Pd — CID 11983532

IUPACpalladium(2+);bis(tricyclohexylphosphane);diacetate
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC(=O)[O-].CC(=O)[O-].[Pd+2]
InChIInChI=1S/2C18H33P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*16-18H,1-15H2;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyHPBRXLTVDCZCSN-UHFFFAOYSA-L
MW785.38 g/mol
LogP10.44
Rot. Bonds6

About palladium(2+);bis(tricyclohexylphosphane);diacetate

palladium(2+);bis(tricyclohexylphosphane);diacetate (PubChem CID 11983532) has the molecular formula C40H72O4P2Pd and a molecular weight of 785.38 g/mol. Its IUPAC name is palladium(2+);bis(tricyclohexylphosphane);diacetate.

Molecular Properties

Compound Namepalladium(2+);bis(tricyclohexylphosphane);diacetate
PubChem CID11983532
Molecular FormulaC40H72O4P2Pd
Molecular Weight785.38 g/mol
Exact Mass784.39
IUPAC Namepalladium(2+);bis(tricyclohexylphosphane);diacetate
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC(=O)[O-].CC(=O)[O-].[Pd+2]
InChIInChI=1S/2C18H33P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*16-18H,1-15H2;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyHPBRXLTVDCZCSN-UHFFFAOYSA-L
XLogP10.44
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.38
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(2+);bis(tricyclohexylphosphane);diacetate?
The IUPAC name of palladium(2+);bis(tricyclohexylphosphane);diacetate (CID 11983532) is palladium(2+);bis(tricyclohexylphosphane);diacetate.
What is the SMILES notation for palladium(2+);bis(tricyclohexylphosphane);diacetate?
The canonical SMILES for palladium(2+);bis(tricyclohexylphosphane);diacetate is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC(=O)[O-].CC(=O)[O-].[Pd+2].
What is the InChIKey of palladium(2+);bis(tricyclohexylphosphane);diacetate?
The InChIKey is HPBRXLTVDCZCSN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H33P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*16-18H,1-15H2;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of palladium(2+);bis(tricyclohexylphosphane);diacetate?
palladium(2+);bis(tricyclohexylphosphane);diacetate has a molecular weight of 785.38 g/mol, XLogP of 10.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(tricyclohexylphosphane);diacetate is sourced from PubChem (CID 11983532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).