hexaoxidanium;nickel(2+)

H18NiO6+8 — CID 5242104

IUPAChexaoxidanium;nickel(2+)
SMILES[Ni+2].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+]
InChIInChI=1S/Ni.6H2O/h;6*1H2/q+2;;;;;;/p+6
InChIKeyVMNGQVOJJXRBAC-UHFFFAOYSA-T
MW172.83 g/mol
LogP-5.53
Rot. Bonds

About hexaoxidanium;nickel(2+)

hexaoxidanium;nickel(2+) (PubChem CID 5242104) has the molecular formula H18NiO6+8 and a molecular weight of 172.83 g/mol. Its IUPAC name is hexaoxidanium;nickel(2+).

Molecular Properties

Compound Namehexaoxidanium;nickel(2+)
PubChem CID5242104
Molecular FormulaH18NiO6+8
Molecular Weight172.83 g/mol
Exact Mass172.04
IUPAC Namehexaoxidanium;nickel(2+)
SMILES[Ni+2].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+]
InChIInChI=1S/Ni.6H2O/h;6*1H2/q+2;;;;;;/p+6
InChIKeyVMNGQVOJJXRBAC-UHFFFAOYSA-T
XLogP-5.53
TPSA198.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.83
LogP ≤ 5-5.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexaoxidanium;nickel(2+)?
The IUPAC name of hexaoxidanium;nickel(2+) (CID 5242104) is hexaoxidanium;nickel(2+).
What is the SMILES notation for hexaoxidanium;nickel(2+)?
The canonical SMILES for hexaoxidanium;nickel(2+) is [Ni+2].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].
What is the InChIKey of hexaoxidanium;nickel(2+)?
The InChIKey is VMNGQVOJJXRBAC-UHFFFAOYSA-T. The full InChI is InChI=1S/Ni.6H2O/h;6*1H2/q+2;;;;;;/p+6.
What are the key properties of hexaoxidanium;nickel(2+)?
hexaoxidanium;nickel(2+) has a molecular weight of 172.83 g/mol, XLogP of -5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexaoxidanium;nickel(2+) is sourced from PubChem (CID 5242104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).