cerium(4+) tetrabenzoate

C28H20CeO8 — CID 23191663

IUPACcerium(4+) tetrabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ce+4]
InChIInChI=1S/4C7H6O2.Ce/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+4/p-4
InChIKeyPVPBFPZKTZTMQW-UHFFFAOYSA-J
MW624.58 g/mol
LogP0.20
Rot. Bonds4

About cerium(4+) tetrabenzoate

cerium(4+) tetrabenzoate (PubChem CID 23191663) has the molecular formula C28H20CeO8 and a molecular weight of 624.58 g/mol. Its IUPAC name is cerium(4+) tetrabenzoate.

Molecular Properties

Compound Namecerium(4+) tetrabenzoate
PubChem CID23191663
Molecular FormulaC28H20CeO8
Molecular Weight624.58 g/mol
Exact Mass624.02
IUPAC Namecerium(4+) tetrabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ce+4]
InChIInChI=1S/4C7H6O2.Ce/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+4/p-4
InChIKeyPVPBFPZKTZTMQW-UHFFFAOYSA-J
XLogP0.20
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.58
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cerium(4+) tetrabenzoate?
The IUPAC name of cerium(4+) tetrabenzoate (CID 23191663) is cerium(4+) tetrabenzoate.
What is the SMILES notation for cerium(4+) tetrabenzoate?
The canonical SMILES for cerium(4+) tetrabenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ce+4].
What is the InChIKey of cerium(4+) tetrabenzoate?
The InChIKey is PVPBFPZKTZTMQW-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O2.Ce/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+4/p-4.
What are the key properties of cerium(4+) tetrabenzoate?
cerium(4+) tetrabenzoate has a molecular weight of 624.58 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(4+) tetrabenzoate is sourced from PubChem (CID 23191663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).