2-methylpropan-2-ol;nickel(2+);dinitrate

C4H10N2NiO7 — CID 160793047

IUPAC2-methylpropan-2-ol;nickel(2+);dinitrate
SMILESCC(C)(C)O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2]
InChIInChI=1S/C4H10O.2NO3.Ni/c1-4(2,3)5;2*2-1(3)4;/h5H,1-3H3;;;/q;2*-1;+2
InChIKeyUCYVTRRQOPREES-UHFFFAOYSA-N
MW256.82 g/mol
LogP0.30
Rot. Bonds

About 2-methylpropan-2-ol;nickel(2+);dinitrate

2-methylpropan-2-ol;nickel(2+);dinitrate (PubChem CID 160793047) has the molecular formula C4H10N2NiO7 and a molecular weight of 256.82 g/mol. Its IUPAC name is 2-methylpropan-2-ol;nickel(2+);dinitrate.

Molecular Properties

Compound Name2-methylpropan-2-ol;nickel(2+);dinitrate
PubChem CID160793047
Molecular FormulaC4H10N2NiO7
Molecular Weight256.82 g/mol
Exact Mass255.98
IUPAC Name2-methylpropan-2-ol;nickel(2+);dinitrate
SMILESCC(C)(C)O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2]
InChIInChI=1S/C4H10O.2NO3.Ni/c1-4(2,3)5;2*2-1(3)4;/h5H,1-3H3;;;/q;2*-1;+2
InChIKeyUCYVTRRQOPREES-UHFFFAOYSA-N
XLogP0.30
TPSA152.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-ol;nickel(2+);dinitrate?
The IUPAC name of 2-methylpropan-2-ol;nickel(2+);dinitrate (CID 160793047) is 2-methylpropan-2-ol;nickel(2+);dinitrate.
What is the SMILES notation for 2-methylpropan-2-ol;nickel(2+);dinitrate?
The canonical SMILES for 2-methylpropan-2-ol;nickel(2+);dinitrate is CC(C)(C)O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2].
What is the InChIKey of 2-methylpropan-2-ol;nickel(2+);dinitrate?
The InChIKey is UCYVTRRQOPREES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2NO3.Ni/c1-4(2,3)5;2*2-1(3)4;/h5H,1-3H3;;;/q;2*-1;+2.
What are the key properties of 2-methylpropan-2-ol;nickel(2+);dinitrate?
2-methylpropan-2-ol;nickel(2+);dinitrate has a molecular weight of 256.82 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-ol;nickel(2+);dinitrate is sourced from PubChem (CID 160793047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).