dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate

C4H4K2O11Ti — CID 90479644

IUPACdipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate
SMILESO.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[K+].[K+].[O-2].[Ti+4]
InChIInChI=1S/2C2H2O4.2K.2H2O.O.Ti/c2*3-1(4)2(5)6;;;;;;/h2*(H,3,4)(H,5,6);;;2*1H2;;/q;;2*+1;;;-2;+4/p-4
InChIKeyGNRMKQMKBAJVLN-UHFFFAOYSA-J
MW354.13 g/mol
LogP-14.79
Rot. Bonds

About dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate

dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate (PubChem CID 90479644) has the molecular formula C4H4K2O11Ti and a molecular weight of 354.13 g/mol. Its IUPAC name is dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate.

Molecular Properties

Compound Namedipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate
PubChem CID90479644
Molecular FormulaC4H4K2O11Ti
Molecular Weight354.13 g/mol
Exact Mass353.85
IUPAC Namedipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate
SMILESO.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[K+].[K+].[O-2].[Ti+4]
InChIInChI=1S/2C2H2O4.2K.2H2O.O.Ti/c2*3-1(4)2(5)6;;;;;;/h2*(H,3,4)(H,5,6);;;2*1H2;;/q;;2*+1;;;-2;+4/p-4
InChIKeyGNRMKQMKBAJVLN-UHFFFAOYSA-J
XLogP-14.79
TPSA252.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.13
LogP ≤ 5-14.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;oxalate;oxygen(2-);titanium(4+);hydrate
CID 173257796
lanthanum;oxalate;nonahydrate
CID 172983604
oxalate;bis(yttrium(3+));hydrate
CID 516803
dicalcium;oxalate;oxygen(2-)
CID 172811671
zinc;oxalate;hexahydrate
CID 175037581
oxalate;bis(terbium(3+));hydrate
CID 57351143
iron(3+);oxalate;hydrate
CID 172796672
potassium;iron(3+);oxalate;trihydrate
CID 102601672
bis(cerium(3+));oxalate;decahydrate
CID 71586987
dilithium;oxalate;titanium(4+)
CID 173348725
dizinc;oxalate;hydrate
CID 175884048
manganese(2+);oxalate;tetrahydrate
CID 175494327

Frequently Asked Questions

What is the IUPAC name of dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate?
The IUPAC name of dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate (CID 90479644) is dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate.
What is the SMILES notation for dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate?
The canonical SMILES for dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate is O.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[K+].[K+].[O-2].[Ti+4].
What is the InChIKey of dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate?
The InChIKey is GNRMKQMKBAJVLN-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H2O4.2K.2H2O.O.Ti/c2*3-1(4)2(5)6;;;;;;/h2*(H,3,4)(H,5,6);;;2*1H2;;/q;;2*+1;;;-2;+4/p-4.
What are the key properties of dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate?
dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate has a molecular weight of 354.13 g/mol, XLogP of -14.79, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;oxalate;oxygen(2-);titanium(4+);dihydrate is sourced from PubChem (CID 90479644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).