bis(cerium(3+));oxalate;decahydrate

C6H20Ce2O22 — CID 71586987

IUPACbis(cerium(3+));oxalate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ce+3].[Ce+3]
InChIInChI=1S/3C2H2O4.2Ce.10H2O/c3*3-1(4)2(5)6;;;;;;;;;;;;/h3*(H,3,4)(H,5,6);;;10*1H2/q;;;2*+3;;;;;;;;;;/p-6
InChIKeyBYCKXMUEODWQNZ-UHFFFAOYSA-H
MW724.44 g/mol
LogP-18.79
Rot. Bonds

About bis(cerium(3+));oxalate;decahydrate

bis(cerium(3+));oxalate;decahydrate (PubChem CID 71586987) has the molecular formula C6H20Ce2O22 and a molecular weight of 724.44 g/mol. Its IUPAC name is bis(cerium(3+));oxalate;decahydrate.

Molecular Properties

Compound Namebis(cerium(3+));oxalate;decahydrate
PubChem CID71586987
Molecular FormulaC6H20Ce2O22
Molecular Weight724.44 g/mol
Exact Mass723.86
IUPAC Namebis(cerium(3+));oxalate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ce+3].[Ce+3]
InChIInChI=1S/3C2H2O4.2Ce.10H2O/c3*3-1(4)2(5)6;;;;;;;;;;;;/h3*(H,3,4)(H,5,6);;;10*1H2/q;;;2*+3;;;;;;;;;;/p-6
InChIKeyBYCKXMUEODWQNZ-UHFFFAOYSA-H
XLogP-18.79
TPSA555.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.44
LogP ≤ 5-18.79
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

lanthanum;oxalate;nonahydrate
CID 172983604
oxalate;bis(yttrium(3+));hydrate
CID 516803
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
dizinc;oxalate;hydrate
CID 175884048
manganese(2+);oxalate;tetrahydrate
CID 175494327
octacesium;oxalate;dihydrate
CID 164888483
dipotassium;oxalate;platinum(2+);dihydrate
CID 56841024
dibismuth;oxalate;heptahydrate
CID 172687404
niobium(2+);oxalate;hydrate
CID 174517639

Frequently Asked Questions

What is the IUPAC name of bis(cerium(3+));oxalate;decahydrate?
The IUPAC name of bis(cerium(3+));oxalate;decahydrate (CID 71586987) is bis(cerium(3+));oxalate;decahydrate.
What is the SMILES notation for bis(cerium(3+));oxalate;decahydrate?
The canonical SMILES for bis(cerium(3+));oxalate;decahydrate is O.O.O.O.O.O.O.O.O.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ce+3].[Ce+3].
What is the InChIKey of bis(cerium(3+));oxalate;decahydrate?
The InChIKey is BYCKXMUEODWQNZ-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O4.2Ce.10H2O/c3*3-1(4)2(5)6;;;;;;;;;;;;/h3*(H,3,4)(H,5,6);;;10*1H2/q;;;2*+3;;;;;;;;;;/p-6.
What are the key properties of bis(cerium(3+));oxalate;decahydrate?
bis(cerium(3+));oxalate;decahydrate has a molecular weight of 724.44 g/mol, XLogP of -18.79, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cerium(3+));oxalate;decahydrate is sourced from PubChem (CID 71586987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).