bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium

C32H70P2Pd — CID 87443818

IUPACbis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium
SMILESCCC(C(C)(C)C)C(P)(C(C)(C)C)C(C)(C)C.CCC(C(C)(C)C)C(P)(C(C)(C)C)C(C)(C)C.[Pd]
InChIInChI=1S/2C16H35P.Pd/c2*1-11-12(13(2,3)4)16(17,14(5,6)7)15(8,9)10;/h2*12H,11,17H2,1-10H3;
InChIKeyPRACTRRGGKFUCB-UHFFFAOYSA-N
MW623.28 g/mol
LogP11.53
Rot. Bonds4

About bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium

bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium (PubChem CID 87443818) has the molecular formula C32H70P2Pd and a molecular weight of 623.28 g/mol. Its IUPAC name is bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium.

Molecular Properties

Compound Namebis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium
PubChem CID87443818
Molecular FormulaC32H70P2Pd
Molecular Weight623.28 g/mol
Exact Mass622.40
IUPAC Namebis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium
SMILESCCC(C(C)(C)C)C(P)(C(C)(C)C)C(C)(C)C.CCC(C(C)(C)C)C(P)(C(C)(C)C)C(C)(C)C.[Pd]
InChIInChI=1S/2C16H35P.Pd/c2*1-11-12(13(2,3)4)16(17,14(5,6)7)15(8,9)10;/h2*12H,11,17H2,1-10H3;
InChIKeyPRACTRRGGKFUCB-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.28
LogP ≤ 511.53
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((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium?
The IUPAC name of bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium (CID 87443818) is bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium.
What is the SMILES notation for bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium?
The canonical SMILES for bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium is CCC(C(C)(C)C)C(P)(C(C)(C)C)C(C)(C)C.CCC(C(C)(C)C)C(P)(C(C)(C)C)C(C)(C)C.[Pd].
What is the InChIKey of bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium?
The InChIKey is PRACTRRGGKFUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H35P.Pd/c2*1-11-12(13(2,3)4)16(17,14(5,6)7)15(8,9)10;/h2*12H,11,17H2,1-10H3;.
What are the key properties of bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium?
bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium has a molecular weight of 623.28 g/mol, XLogP of 11.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium is sourced from PubChem (CID 87443818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).