bis(benzene-1,3-dicarboxylate);ruthenium(4+)

C16H8O8Ru — CID 88500443

IUPACbis(benzene-1,3-dicarboxylate);ruthenium(4+)
SMILESO=C([O-])c1cccc(C(=O)[O-])c1.O=C([O-])c1cccc(C(=O)[O-])c1.[Ru+4]
InChIInChI=1S/2C8H6O4.Ru/c2*9-7(10)5-2-1-3-6(4-5)8(11)12;/h2*1-4H,(H,9,10)(H,11,12);/q;;+4/p-4
InChIKeyRCQJZYZGCVEPGJ-UHFFFAOYSA-J
MW429.30 g/mol
LogP-3.18
Rot. Bonds4

About bis(benzene-1,3-dicarboxylate);ruthenium(4+)

bis(benzene-1,3-dicarboxylate);ruthenium(4+) (PubChem CID 88500443) has the molecular formula C16H8O8Ru and a molecular weight of 429.30 g/mol. Its IUPAC name is bis(benzene-1,3-dicarboxylate);ruthenium(4+).

Molecular Properties

Compound Namebis(benzene-1,3-dicarboxylate);ruthenium(4+)
PubChem CID88500443
Molecular FormulaC16H8O8Ru
Molecular Weight429.30 g/mol
Exact Mass429.93
IUPAC Namebis(benzene-1,3-dicarboxylate);ruthenium(4+)
SMILESO=C([O-])c1cccc(C(=O)[O-])c1.O=C([O-])c1cccc(C(=O)[O-])c1.[Ru+4]
InChIInChI=1S/2C8H6O4.Ru/c2*9-7(10)5-2-1-3-6(4-5)8(11)12;/h2*1-4H,(H,9,10)(H,11,12);/q;;+4/p-4
InChIKeyRCQJZYZGCVEPGJ-UHFFFAOYSA-J
XLogP-3.18
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

benzene-1,3-dicarboxylate;lead(2+)
CID 56842371
sodium 3-carboxybenzoate
CID 23668865
dipotassium;3-sulfidocarbonylbenzoate
CID 141023598
calcium;3-carboxybenzoate;hydroxide
CID 140685957
benzene-1,3-dicarboxylate;bis(tetraphenylphosphanium)
CID 20544407
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421
sodium 3-phosphanylbenzoate
CID 162334368
cesium 3-aminobenzoate
CID 134897140
gallium tris(3-methylbenzoate)
CID 22604030
bismuth tris(3-fluorobenzoate)
CID 132504465
CID 101297342
CID 101297342

Frequently Asked Questions

What is the IUPAC name of bis(benzene-1,3-dicarboxylate);ruthenium(4+)?
The IUPAC name of bis(benzene-1,3-dicarboxylate);ruthenium(4+) (CID 88500443) is bis(benzene-1,3-dicarboxylate);ruthenium(4+).
What is the SMILES notation for bis(benzene-1,3-dicarboxylate);ruthenium(4+)?
The canonical SMILES for bis(benzene-1,3-dicarboxylate);ruthenium(4+) is O=C([O-])c1cccc(C(=O)[O-])c1.O=C([O-])c1cccc(C(=O)[O-])c1.[Ru+4].
What is the InChIKey of bis(benzene-1,3-dicarboxylate);ruthenium(4+)?
The InChIKey is RCQJZYZGCVEPGJ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C8H6O4.Ru/c2*9-7(10)5-2-1-3-6(4-5)8(11)12;/h2*1-4H,(H,9,10)(H,11,12);/q;;+4/p-4.
What are the key properties of bis(benzene-1,3-dicarboxylate);ruthenium(4+)?
bis(benzene-1,3-dicarboxylate);ruthenium(4+) has a molecular weight of 429.30 g/mol, XLogP of -3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzene-1,3-dicarboxylate);ruthenium(4+) is sourced from PubChem (CID 88500443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).