bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))

Ba2O15Ti5Y2 — CID 173429333

IUPACbis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Ba+2].[Ba+2].[Y+3].[Y+3]
InChIInChI=1S/2Ba.15O.5Ti.2Y/q2*+2;;;;;;10*-1;;;;;;2*+3
InChIKeyFTLJLOZQWBCNKZ-UHFFFAOYSA-N
MW931.79 g/mol
LogP-13.26
Rot. Bonds

About bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))

bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+)) (PubChem CID 173429333) has the molecular formula Ba2O15Ti5Y2 and a molecular weight of 931.79 g/mol. Its IUPAC name is bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+)).

Molecular Properties

Compound Namebis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))
PubChem CID173429333
Molecular FormulaBa2O15Ti5Y2
Molecular Weight931.79 g/mol
Exact Mass933.29
IUPAC Namebis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Ba+2].[Ba+2].[Y+3].[Y+3]
InChIInChI=1S/2Ba.15O.5Ti.2Y/q2*+2;;;;;;10*-1;;;;;;2*+3
InChIKeyFTLJLOZQWBCNKZ-UHFFFAOYSA-N
XLogP-13.26
TPSA315.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.79
LogP ≤ 5-13.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))?
The IUPAC name of bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+)) (CID 173429333) is bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+)).
What is the SMILES notation for bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))?
The canonical SMILES for bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+)) is O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Ba+2].[Ba+2].[Y+3].[Y+3].
What is the InChIKey of bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))?
The InChIKey is FTLJLOZQWBCNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ba.15O.5Ti.2Y/q2*+2;;;;;;10*-1;;;;;;2*+3.
What are the key properties of bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))?
bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+)) has a molecular weight of 931.79 g/mol, XLogP of -13.26, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+)) is sourced from PubChem (CID 173429333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).