ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride

C18H40Cl2NiP2 — CID 173080651

IUPACditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride
SMILESCC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/C18H40P2.2ClH.Ni/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;;;/h13-14H2,1-12H3;2*1H;/q;;;+2/p-2
InChIKeyYSKMPPLXVPGBIW-UHFFFAOYSA-L
MW448.07 g/mol
LogP1.15
Rot. Bonds3

About ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride

ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride (PubChem CID 173080651) has the molecular formula C18H40Cl2NiP2 and a molecular weight of 448.07 g/mol. Its IUPAC name is ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride.

Molecular Properties

Compound Nameditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride
PubChem CID173080651
Molecular FormulaC18H40Cl2NiP2
Molecular Weight448.07 g/mol
Exact Mass446.13
IUPAC Nameditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride
SMILESCC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/C18H40P2.2ClH.Ni/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;;;/h13-14H2,1-12H3;2*1H;/q;;;+2/p-2
InChIKeyYSKMPPLXVPGBIW-UHFFFAOYSA-L
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.07
LogP ≤ 51.15
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 ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride?
The IUPAC name of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride (CID 173080651) is ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride.
What is the SMILES notation for ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride?
The canonical SMILES for ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride is CC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Ni+2].
What is the InChIKey of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride?
The InChIKey is YSKMPPLXVPGBIW-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H40P2.2ClH.Ni/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;;;/h13-14H2,1-12H3;2*1H;/q;;;+2/p-2.
What are the key properties of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride?
ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride has a molecular weight of 448.07 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride is sourced from PubChem (CID 173080651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).