bis(2-methoxyethanolate);nickel(2+)

C6H14NiO4 — CID 87172230

IUPACbis(2-methoxyethanolate);nickel(2+)
SMILESCOCC[O-].COCC[O-].[Ni+2]
InChIInChI=1S/2C3H7O2.Ni/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2
InChIKeyKNEAYFOSQJIPKZ-UHFFFAOYSA-N
MW208.87 g/mol
LogP-2.02
Rot. Bonds4

About bis(2-methoxyethanolate);nickel(2+)

bis(2-methoxyethanolate);nickel(2+) (PubChem CID 87172230) has the molecular formula C6H14NiO4 and a molecular weight of 208.87 g/mol. Its IUPAC name is bis(2-methoxyethanolate);nickel(2+).

Molecular Properties

Compound Namebis(2-methoxyethanolate);nickel(2+)
PubChem CID87172230
Molecular FormulaC6H14NiO4
Molecular Weight208.87 g/mol
Exact Mass208.02
IUPAC Namebis(2-methoxyethanolate);nickel(2+)
SMILESCOCC[O-].COCC[O-].[Ni+2]
InChIInChI=1S/2C3H7O2.Ni/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2
InChIKeyKNEAYFOSQJIPKZ-UHFFFAOYSA-N
XLogP-2.02
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.87
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethanolate);nickel(2+)?
The IUPAC name of bis(2-methoxyethanolate);nickel(2+) (CID 87172230) is bis(2-methoxyethanolate);nickel(2+).
What is the SMILES notation for bis(2-methoxyethanolate);nickel(2+)?
The canonical SMILES for bis(2-methoxyethanolate);nickel(2+) is COCC[O-].COCC[O-].[Ni+2].
What is the InChIKey of bis(2-methoxyethanolate);nickel(2+)?
The InChIKey is KNEAYFOSQJIPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Ni/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2.
What are the key properties of bis(2-methoxyethanolate);nickel(2+)?
bis(2-methoxyethanolate);nickel(2+) has a molecular weight of 208.87 g/mol, XLogP of -2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethanolate);nickel(2+) is sourced from PubChem (CID 87172230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).