3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate

C35H72O4P2Pd — CID 173070525

IUPAC3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCCCCP(CCCCCCC)CCCP(CCCCCCC)CCCCCCC.[Pd+2]
InChIInChI=1S/C31H66P2.2C2H4O2.Pd/c1-5-9-13-17-21-26-32(27-22-18-14-10-6-2)30-25-31-33(28-23-19-15-11-7-3)29-24-20-16-12-8-4;2*1-2(3)4;/h5-31H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyXYBOTFASWUJQNA-UHFFFAOYSA-L
MW725.33 g/mol
LogP9.73
Rot. Bonds28

About 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate

3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate (PubChem CID 173070525) has the molecular formula C35H72O4P2Pd and a molecular weight of 725.33 g/mol. Its IUPAC name is 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate.

Molecular Properties

Compound Name3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate
PubChem CID173070525
Molecular FormulaC35H72O4P2Pd
Molecular Weight725.33 g/mol
Exact Mass724.39
IUPAC Name3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCCCCP(CCCCCCC)CCCP(CCCCCCC)CCCCCCC.[Pd+2]
InChIInChI=1S/C31H66P2.2C2H4O2.Pd/c1-5-9-13-17-21-26-32(27-22-18-14-10-6-2)30-25-31-33(28-23-19-15-11-7-3)29-24-20-16-12-8-4;2*1-2(3)4;/h5-31H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyXYBOTFASWUJQNA-UHFFFAOYSA-L
XLogP9.73
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.33
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc;tributylphosphane;diacetate
CID 158741952
copper;bis(tributylphosphane);diacetate
CID 173453696
carbonic acid;trioctylphosphane
CID 174362126
hexyl-octyl-pentylphosphane
CID 90108526
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
dibutyl(decyl)phosphane
CID 171559269
bismuthane;trioctylphosphane
CID 174398286
zinc;hexane;diacetate
CID 174575867
tris(trioctylphosphane);tungsten
CID 158972203
dibutyl(tetradecyl)phosphane
CID 118319275

Frequently Asked Questions

What is the IUPAC name of 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate?
The IUPAC name of 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate (CID 173070525) is 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate.
What is the SMILES notation for 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate?
The canonical SMILES for 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate is CC(=O)[O-].CC(=O)[O-].CCCCCCCP(CCCCCCC)CCCP(CCCCCCC)CCCCCCC.[Pd+2].
What is the InChIKey of 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate?
The InChIKey is XYBOTFASWUJQNA-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H66P2.2C2H4O2.Pd/c1-5-9-13-17-21-26-32(27-22-18-14-10-6-2)30-25-31-33(28-23-19-15-11-7-3)29-24-20-16-12-8-4;2*1-2(3)4;/h5-31H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate?
3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate has a molecular weight of 725.33 g/mol, XLogP of 9.73, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate is sourced from PubChem (CID 173070525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).