barium(2+);bis(dioxido(oxo)titanium);nickel(2+)

BaNiO6Ti2 — CID 173440950

IUPACbarium(2+);bis(dioxido(oxo)titanium);nickel(2+)
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Ba+2].[Ni+2]
InChIInChI=1S/Ba.Ni.6O.2Ti/q2*+2;;;4*-1;;
InChIKeyUCNRVFJSNMWBMR-UHFFFAOYSA-N
MW387.75 g/mol
LogP-5.38
Rot. Bonds

About barium(2+);bis(dioxido(oxo)titanium);nickel(2+)

barium(2+);bis(dioxido(oxo)titanium);nickel(2+) (PubChem CID 173440950) has the molecular formula BaNiO6Ti2 and a molecular weight of 387.75 g/mol. Its IUPAC name is barium(2+);bis(dioxido(oxo)titanium);nickel(2+).

Molecular Properties

Compound Namebarium(2+);bis(dioxido(oxo)titanium);nickel(2+)
PubChem CID173440950
Molecular FormulaBaNiO6Ti2
Molecular Weight387.75 g/mol
Exact Mass387.71
IUPAC Namebarium(2+);bis(dioxido(oxo)titanium);nickel(2+)
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Ba+2].[Ni+2]
InChIInChI=1S/Ba.Ni.6O.2Ti/q2*+2;;;4*-1;;
InChIKeyUCNRVFJSNMWBMR-UHFFFAOYSA-N
XLogP-5.38
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 5-5.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(dioxido(oxo)titanium);nickel(2+)?
The IUPAC name of barium(2+);bis(dioxido(oxo)titanium);nickel(2+) (CID 173440950) is barium(2+);bis(dioxido(oxo)titanium);nickel(2+).
What is the SMILES notation for barium(2+);bis(dioxido(oxo)titanium);nickel(2+)?
The canonical SMILES for barium(2+);bis(dioxido(oxo)titanium);nickel(2+) is O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Ba+2].[Ni+2].
What is the InChIKey of barium(2+);bis(dioxido(oxo)titanium);nickel(2+)?
The InChIKey is UCNRVFJSNMWBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ni.6O.2Ti/q2*+2;;;4*-1;;.
What are the key properties of barium(2+);bis(dioxido(oxo)titanium);nickel(2+)?
barium(2+);bis(dioxido(oxo)titanium);nickel(2+) has a molecular weight of 387.75 g/mol, XLogP of -5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(dioxido(oxo)titanium);nickel(2+) is sourced from PubChem (CID 173440950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).