dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane

C31H32Cl2O2P2Pd — CID 11072443

IUPACdichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILESCC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1.Cl[Pd]Cl
InChIInChI=1S/C31H32O2P2.2ClH.Pd/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-22,29-30H,23-24H2,1-2H3;2*1H;/q;;;+2/p-2/t29-,30-;;;/m0.../s1
InChIKeyJUOLXJPDHWWXOF-BPTUYQQTSA-L
MW675.87 g/mol
LogP7.15
Rot. Bonds8

About dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane

dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (PubChem CID 11072443) has the molecular formula C31H32Cl2O2P2Pd and a molecular weight of 675.87 g/mol. Its IUPAC name is dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Namedichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
PubChem CID11072443
Molecular FormulaC31H32Cl2O2P2Pd
Molecular Weight675.87 g/mol
Exact Mass674.03
IUPAC Namedichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILESCC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1.Cl[Pd]Cl
InChIInChI=1S/C31H32O2P2.2ClH.Pd/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-22,29-30H,23-24H2,1-2H3;2*1H;/q;;;+2/p-2/t29-,30-;;;/m0.../s1
InChIKeyJUOLXJPDHWWXOF-BPTUYQQTSA-L
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.87
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The IUPAC name of dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (CID 11072443) is dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.
What is the SMILES notation for dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The canonical SMILES for dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is CC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The InChIKey is JUOLXJPDHWWXOF-BPTUYQQTSA-L. The full InChI is InChI=1S/C31H32O2P2.2ClH.Pd/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-22,29-30H,23-24H2,1-2H3;2*1H;/q;;;+2/p-2/t29-,30-;;;/m0.../s1.
What are the key properties of dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane has a molecular weight of 675.87 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is sourced from PubChem (CID 11072443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).