ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)

C16H34ClPPd+2 — CID 175885738

IUPACditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)
SMILESCC(C)(C)C(Cl)C(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd+2]
InChIInChI=1S/C16H34ClP.Pd/c1-13(2,3)12(17)16(10,11)18(14(4,5)6)15(7,8)9;/h12H,1-11H3;/q;+2
InChIKeyOBPZOGIELUGVAY-UHFFFAOYSA-N
MW399.30 g/mol
LogP6.49
Rot. Bonds2

About ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)

ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+) (PubChem CID 175885738) has the molecular formula C16H34ClPPd+2 and a molecular weight of 399.30 g/mol. Its IUPAC name is ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+).

Molecular Properties

Compound Nameditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)
PubChem CID175885738
Molecular FormulaC16H34ClPPd+2
Molecular Weight399.30 g/mol
Exact Mass398.11
IUPAC Nameditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)
SMILESCC(C)(C)C(Cl)C(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd+2]
InChIInChI=1S/C16H34ClP.Pd/c1-13(2,3)12(17)16(10,11)18(14(4,5)6)15(7,8)9;/h12H,1-11H3;/q;+2
InChIKeyOBPZOGIELUGVAY-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.30
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)?
The IUPAC name of ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+) (CID 175885738) is ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+).
What is the SMILES notation for ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)?
The canonical SMILES for ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+) is CC(C)(C)C(Cl)C(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd+2].
What is the InChIKey of ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)?
The InChIKey is OBPZOGIELUGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34ClP.Pd/c1-13(2,3)12(17)16(10,11)18(14(4,5)6)15(7,8)9;/h12H,1-11H3;/q;+2.
What are the key properties of ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)?
ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+) has a molecular weight of 399.30 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+) is sourced from PubChem (CID 175885738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).