bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium

C32H72P4Pd — CID 11061444

IUPACbis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium
SMILESCC(C)P(CCCCP(C(C)C)C(C)C)C(C)C.CC(C)P(CCCCP(C(C)C)C(C)C)C(C)C.[Pd]
InChIInChI=1S/2C16H36P2.Pd/c2*1-13(2)17(14(3)4)11-9-10-12-18(15(5)6)16(7)8;/h2*13-16H,9-12H2,1-8H3;
InChIKeyCCPBZIMRPLFTAC-UHFFFAOYSA-N
MW687.24 g/mol
LogP12.73
Rot. Bonds18

About bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium

bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium (PubChem CID 11061444) has the molecular formula C32H72P4Pd and a molecular weight of 687.24 g/mol. Its IUPAC name is bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium.

Molecular Properties

Compound Namebis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium
PubChem CID11061444
Molecular FormulaC32H72P4Pd
Molecular Weight687.24 g/mol
Exact Mass686.36
IUPAC Namebis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium
SMILESCC(C)P(CCCCP(C(C)C)C(C)C)C(C)C.CC(C)P(CCCCP(C(C)C)C(C)C)C(C)C.[Pd]
InChIInChI=1S/2C16H36P2.Pd/c2*1-13(2)17(14(3)4)11-9-10-12-18(15(5)6)16(7)8;/h2*13-16H,9-12H2,1-8H3;
InChIKeyCCPBZIMRPLFTAC-UHFFFAOYSA-N
XLogP12.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.24
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium?
The IUPAC name of bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium (CID 11061444) is bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium.
What is the SMILES notation for bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium?
The canonical SMILES for bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium is CC(C)P(CCCCP(C(C)C)C(C)C)C(C)C.CC(C)P(CCCCP(C(C)C)C(C)C)C(C)C.[Pd].
What is the InChIKey of bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium?
The InChIKey is CCPBZIMRPLFTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H36P2.Pd/c2*1-13(2)17(14(3)4)11-9-10-12-18(15(5)6)16(7)8;/h2*13-16H,9-12H2,1-8H3;.
What are the key properties of bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium?
bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium has a molecular weight of 687.24 g/mol, XLogP of 12.73, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium is sourced from PubChem (CID 11061444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).