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

C4H6Ba2O7Ti — CID 173348489

IUPACbis(barium(2+));dioxido(oxo)titanium;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=[Ti]([O-])[O-].[Ba+2].[Ba+2]
InChIInChI=1S/2C2H4O2.2Ba.3O.Ti/c2*1-2(3)4;;;;;;/h2*1H3,(H,3,4);;;;;;/q;;2*+2;;2*-1;/p-2
InChIKeyMMPISRPXPRWUHO-UHFFFAOYSA-L
MW488.61 g/mol
LogP-5.75
Rot. Bonds

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

bis(barium(2+));dioxido(oxo)titanium;diacetate (PubChem CID 173348489) has the molecular formula C4H6Ba2O7Ti and a molecular weight of 488.61 g/mol. Its IUPAC name is bis(barium(2+));dioxido(oxo)titanium;diacetate.

Molecular Properties

Compound Namebis(barium(2+));dioxido(oxo)titanium;diacetate
PubChem CID173348489
Molecular FormulaC4H6Ba2O7Ti
Molecular Weight488.61 g/mol
Exact Mass489.77
IUPAC Namebis(barium(2+));dioxido(oxo)titanium;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=[Ti]([O-])[O-].[Ba+2].[Ba+2]
InChIInChI=1S/2C2H4O2.2Ba.3O.Ti/c2*1-2(3)4;;;;;;/h2*1H3,(H,3,4);;;;;;/q;;2*+2;;2*-1;/p-2
InChIKeyMMPISRPXPRWUHO-UHFFFAOYSA-L
XLogP-5.75
TPSA143.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 5-5.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tris(barium(2+)) diacetate
CID 19804496
zinc;barium(2+);hydride;diacetate
CID 173417196
dioxido(oxo)titanium;bis(lead(2+));carbonate
CID 173394753
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
manganese(3+) diacetate
CID 159209977
(indium(3+)) diacetate
CID 173450278
terbium(3+) acetate
CID 22482914
nonasodium;nonaacetate
CID 173443222
tricalcium diacetate
CID 19804487
CID 170997571
CID 170997571
bis(cobalt(2+));tetraacetate
CID 157121376

Frequently Asked Questions

What is the IUPAC name of bis(barium(2+));dioxido(oxo)titanium;diacetate?
The IUPAC name of bis(barium(2+));dioxido(oxo)titanium;diacetate (CID 173348489) is bis(barium(2+));dioxido(oxo)titanium;diacetate.
What is the SMILES notation for bis(barium(2+));dioxido(oxo)titanium;diacetate?
The canonical SMILES for bis(barium(2+));dioxido(oxo)titanium;diacetate is CC(=O)[O-].CC(=O)[O-].O=[Ti]([O-])[O-].[Ba+2].[Ba+2].
What is the InChIKey of bis(barium(2+));dioxido(oxo)titanium;diacetate?
The InChIKey is MMPISRPXPRWUHO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.2Ba.3O.Ti/c2*1-2(3)4;;;;;;/h2*1H3,(H,3,4);;;;;;/q;;2*+2;;2*-1;/p-2.
What are the key properties of bis(barium(2+));dioxido(oxo)titanium;diacetate?
bis(barium(2+));dioxido(oxo)titanium;diacetate has a molecular weight of 488.61 g/mol, XLogP of -5.75, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(barium(2+));dioxido(oxo)titanium;diacetate is sourced from PubChem (CID 173348489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).