bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate

C32H25O6Ru — CID 6437536

IUPACbis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate
SMILESCC(=O)[O-].O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Ru+3]
InChIInChI=1S/2C15H12O2.C2H4O2.Ru/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2(3)4;/h2*1-11,16H;1H3,(H,3,4);/q;;;+3/p-3/b2*14-11-;;
InChIKeyCLWLQMBXDAIAMO-IWSPYOOBSA-K
MW606.62 g/mol
LogP3.30
Rot. Bonds6

About bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate

bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate (PubChem CID 6437536) has the molecular formula C32H25O6Ru and a molecular weight of 606.62 g/mol. Its IUPAC name is bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate.

Molecular Properties

Compound Namebis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate
PubChem CID6437536
Molecular FormulaC32H25O6Ru
Molecular Weight606.62 g/mol
Exact Mass607.07
IUPAC Namebis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate
SMILESCC(=O)[O-].O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Ru+3]
InChIInChI=1S/2C15H12O2.C2H4O2.Ru/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2(3)4;/h2*1-11,16H;1H3,(H,3,4);/q;;;+3/p-3/b2*14-11-;;
InChIKeyCLWLQMBXDAIAMO-IWSPYOOBSA-K
XLogP3.30
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.62
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate?
The IUPAC name of bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate (CID 6437536) is bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate.
What is the SMILES notation for bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate?
The canonical SMILES for bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate is CC(=O)[O-].O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Ru+3].
What is the InChIKey of bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate?
The InChIKey is CLWLQMBXDAIAMO-IWSPYOOBSA-K. The full InChI is InChI=1S/2C15H12O2.C2H4O2.Ru/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2(3)4;/h2*1-11,16H;1H3,(H,3,4);/q;;;+3/p-3/b2*14-11-;;.
What are the key properties of bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate?
bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate has a molecular weight of 606.62 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);ruthenium(3+);acetate is sourced from PubChem (CID 6437536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).