bis(cerium(3+));bis(zirconium(4+));heptacarbonate

C7Ce2O21Zr2 — CID 173258228

IUPACbis(cerium(3+));bis(zirconium(4+));heptacarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Ce+3].[Ce+3].[Zr+4].[Zr+4]
InChIInChI=1S/7CH2O3.2Ce.2Zr/c7*2-1(3)4;;;;/h7*(H2,2,3,4);;;;/q;;;;;;;2*+3;2*+4/p-14
InChIKeyFHHKSGJLSSMDQD-UHFFFAOYSA-A
MW882.74 g/mol
LogP-17.13
Rot. Bonds

About bis(cerium(3+));bis(zirconium(4+));heptacarbonate

bis(cerium(3+));bis(zirconium(4+));heptacarbonate (PubChem CID 173258228) has the molecular formula C7Ce2O21Zr2 and a molecular weight of 882.74 g/mol. Its IUPAC name is bis(cerium(3+));bis(zirconium(4+));heptacarbonate.

Molecular Properties

Compound Namebis(cerium(3+));bis(zirconium(4+));heptacarbonate
PubChem CID173258228
Molecular FormulaC7Ce2O21Zr2
Molecular Weight882.74 g/mol
Exact Mass879.51
IUPAC Namebis(cerium(3+));bis(zirconium(4+));heptacarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Ce+3].[Ce+3].[Zr+4].[Zr+4]
InChIInChI=1S/7CH2O3.2Ce.2Zr/c7*2-1(3)4;;;;/h7*(H2,2,3,4);;;;/q;;;;;;;2*+3;2*+4/p-14
InChIKeyFHHKSGJLSSMDQD-UHFFFAOYSA-A
XLogP-17.13
TPSA442.33 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.74
LogP ≤ 5-17.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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Frequently Asked Questions

What is the IUPAC name of bis(cerium(3+));bis(zirconium(4+));heptacarbonate?
The IUPAC name of bis(cerium(3+));bis(zirconium(4+));heptacarbonate (CID 173258228) is bis(cerium(3+));bis(zirconium(4+));heptacarbonate.
What is the SMILES notation for bis(cerium(3+));bis(zirconium(4+));heptacarbonate?
The canonical SMILES for bis(cerium(3+));bis(zirconium(4+));heptacarbonate is O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Ce+3].[Ce+3].[Zr+4].[Zr+4].
What is the InChIKey of bis(cerium(3+));bis(zirconium(4+));heptacarbonate?
The InChIKey is FHHKSGJLSSMDQD-UHFFFAOYSA-A. The full InChI is InChI=1S/7CH2O3.2Ce.2Zr/c7*2-1(3)4;;;;/h7*(H2,2,3,4);;;;/q;;;;;;;2*+3;2*+4/p-14.
What are the key properties of bis(cerium(3+));bis(zirconium(4+));heptacarbonate?
bis(cerium(3+));bis(zirconium(4+));heptacarbonate has a molecular weight of 882.74 g/mol, XLogP of -17.13, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cerium(3+));bis(zirconium(4+));heptacarbonate is sourced from PubChem (CID 173258228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).