bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium

C30H68P4Pd — CID 11039604

IUPACbis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium
SMILESCC(C)P(CCCP(C(C)C)C(C)C)C(C)C.CC(C)P(CCCP(C(C)C)C(C)C)C(C)C.[Pd]
InChIInChI=1S/2C15H34P2.Pd/c2*1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8;/h2*12-15H,9-11H2,1-8H3;
InChIKeyOYTRFAKJOIUDDD-UHFFFAOYSA-N
MW659.19 g/mol
LogP11.95
Rot. Bonds16

About bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium

bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium (PubChem CID 11039604) has the molecular formula C30H68P4Pd and a molecular weight of 659.19 g/mol. Its IUPAC name is bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium.

Molecular Properties

Compound Namebis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium
PubChem CID11039604
Molecular FormulaC30H68P4Pd
Molecular Weight659.19 g/mol
Exact Mass658.33
IUPAC Namebis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium
SMILESCC(C)P(CCCP(C(C)C)C(C)C)C(C)C.CC(C)P(CCCP(C(C)C)C(C)C)C(C)C.[Pd]
InChIInChI=1S/2C15H34P2.Pd/c2*1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8;/h2*12-15H,9-11H2,1-8H3;
InChIKeyOYTRFAKJOIUDDD-UHFFFAOYSA-N
XLogP11.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.19
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium?
The IUPAC name of bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium (CID 11039604) is bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium.
What is the SMILES notation for bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium?
The canonical SMILES for bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium is CC(C)P(CCCP(C(C)C)C(C)C)C(C)C.CC(C)P(CCCP(C(C)C)C(C)C)C(C)C.[Pd].
What is the InChIKey of bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium?
The InChIKey is OYTRFAKJOIUDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H34P2.Pd/c2*1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8;/h2*12-15H,9-11H2,1-8H3;.
What are the key properties of bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium?
bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium has a molecular weight of 659.19 g/mol, XLogP of 11.95, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane);palladium is sourced from PubChem (CID 11039604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).