dilithium;oxalate;titanium(4+)

C6Li2O12Ti — CID 173348725

IUPACdilithium;oxalate;titanium(4+)
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Li+].[Li+].[Ti+4]
InChIInChI=1S/3C2H2O4.2Li.Ti/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);;;/q;;;2*+1;+4/p-6
InChIKeyZKHMNWGRFKKWEO-UHFFFAOYSA-H
MW325.80 g/mol
LogP-16.54
Rot. Bonds

About dilithium;oxalate;titanium(4+)

dilithium;oxalate;titanium(4+) (PubChem CID 173348725) has the molecular formula C6Li2O12Ti and a molecular weight of 325.80 g/mol. Its IUPAC name is dilithium;oxalate;titanium(4+).

Molecular Properties

Compound Namedilithium;oxalate;titanium(4+)
PubChem CID173348725
Molecular FormulaC6Li2O12Ti
Molecular Weight325.80 g/mol
Exact Mass325.92
IUPAC Namedilithium;oxalate;titanium(4+)
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Li+].[Li+].[Ti+4]
InChIInChI=1S/3C2H2O4.2Li.Ti/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);;;/q;;;2*+1;+4/p-6
InChIKeyZKHMNWGRFKKWEO-UHFFFAOYSA-H
XLogP-16.54
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.80
LogP ≤ 5-16.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydron;oxalate
CID 22141737
tetralithium;methane;oxalate
CID 174903664
dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate
CID 90479644
oxalate;bis(ruthenium(3+))
CID 57371303
iron(3+);oxalate
CID 165359506
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
diazanium;oxalate
CID 14213
oxalate;silicon(4+)
CID 19840044
cesium oxalate
CID 53436195
dipotassium;zinc;oxalate
CID 173075091

Frequently Asked Questions

What is the IUPAC name of dilithium;oxalate;titanium(4+)?
The IUPAC name of dilithium;oxalate;titanium(4+) (CID 173348725) is dilithium;oxalate;titanium(4+).
What is the SMILES notation for dilithium;oxalate;titanium(4+)?
The canonical SMILES for dilithium;oxalate;titanium(4+) is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Li+].[Li+].[Ti+4].
What is the InChIKey of dilithium;oxalate;titanium(4+)?
The InChIKey is ZKHMNWGRFKKWEO-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O4.2Li.Ti/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);;;/q;;;2*+1;+4/p-6.
What are the key properties of dilithium;oxalate;titanium(4+)?
dilithium;oxalate;titanium(4+) has a molecular weight of 325.80 g/mol, XLogP of -16.54, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;oxalate;titanium(4+) is sourced from PubChem (CID 173348725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).