ruthenium(4+) tetrabenzoate

C28H20O8Ru — CID 173321421

IUPACruthenium(4+) tetrabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ru+4]
InChIInChI=1S/4C7H6O2.Ru/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+4/p-4
InChIKeyRLHVOMKFRPGFLU-UHFFFAOYSA-J
MW585.53 g/mol
LogP0.20
Rot. Bonds4

About ruthenium(4+) tetrabenzoate

ruthenium(4+) tetrabenzoate (PubChem CID 173321421) has the molecular formula C28H20O8Ru and a molecular weight of 585.53 g/mol. Its IUPAC name is ruthenium(4+) tetrabenzoate.

Molecular Properties

Compound Nameruthenium(4+) tetrabenzoate
PubChem CID173321421
Molecular FormulaC28H20O8Ru
Molecular Weight585.53 g/mol
Exact Mass586.02
IUPAC Nameruthenium(4+) tetrabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ru+4]
InChIInChI=1S/4C7H6O2.Ru/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+4/p-4
InChIKeyRLHVOMKFRPGFLU-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 ≤ 500585.53
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ruthenium(4+) tetrabenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper tribenzoate
CID 158096746
calcium dibenzoate
CID 90470399
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
cadmium(2+) benzoate
CID 22051861
platinum(4+) tetrabenzoate
CID 173022810
azanium benzoate
CID 15830
triazanium;tribenzoate
CID 161450646
barium(2+) benzoate
CID 22608800
cadmium benzoate
CID 170839001

Frequently Asked Questions

What is the IUPAC name of ruthenium(4+) tetrabenzoate?
The IUPAC name of ruthenium(4+) tetrabenzoate (CID 173321421) is ruthenium(4+) tetrabenzoate.
What is the SMILES notation for ruthenium(4+) tetrabenzoate?
The canonical SMILES for ruthenium(4+) tetrabenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ru+4].
What is the InChIKey of ruthenium(4+) tetrabenzoate?
The InChIKey is RLHVOMKFRPGFLU-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O2.Ru/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 ruthenium(4+) tetrabenzoate?
ruthenium(4+) tetrabenzoate has a molecular weight of 585.53 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 ruthenium(4+) tetrabenzoate is sourced from PubChem (CID 173321421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).