methanone;ruthenium(4+);triphenylphosphanium

C22H20O4PRu+ — CID 87465370

IUPACmethanone;ruthenium(4+);triphenylphosphanium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Ru+4].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.4CHO.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h1-15H;4*1H;/q;4*-1;+4/p+1
InChIKeyHEQXPAZWAOPZKP-UHFFFAOYSA-O
MW480.44 g/mol
LogP2.08
Rot. Bonds3

About methanone;ruthenium(4+);triphenylphosphanium

methanone;ruthenium(4+);triphenylphosphanium (PubChem CID 87465370) has the molecular formula C22H20O4PRu+ and a molecular weight of 480.44 g/mol. Its IUPAC name is methanone;ruthenium(4+);triphenylphosphanium.

Molecular Properties

Compound Namemethanone;ruthenium(4+);triphenylphosphanium
PubChem CID87465370
Molecular FormulaC22H20O4PRu+
Molecular Weight480.44 g/mol
Exact Mass481.01
IUPAC Namemethanone;ruthenium(4+);triphenylphosphanium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Ru+4].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.4CHO.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h1-15H;4*1H;/q;4*-1;+4/p+1
InChIKeyHEQXPAZWAOPZKP-UHFFFAOYSA-O
XLogP2.08
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methanone;rhodium(2+);bis(triphenylphosphanium);chloride
CID 71463886
CID 158163106
CID 158163106
hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
dioxopalladium;triphenylphosphanium
CID 174842290
formaldehyde;ruthenium;tris(triphenylphosphanium)
CID 22165433
carbanide;nickel;triphenylphosphanium
CID 87436309
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
methanone;rhodium;2,2,2-trifluoroacetic acid;bis(triphenylphosphanium)
CID 88636854
copper;nitric acid;bis(triphenylphosphanium)
CID 87857572
dichlororuthenium;tris(triphenylphosphanium)
CID 6373698

Frequently Asked Questions

What is the IUPAC name of methanone;ruthenium(4+);triphenylphosphanium?
The IUPAC name of methanone;ruthenium(4+);triphenylphosphanium (CID 87465370) is methanone;ruthenium(4+);triphenylphosphanium.
What is the SMILES notation for methanone;ruthenium(4+);triphenylphosphanium?
The canonical SMILES for methanone;ruthenium(4+);triphenylphosphanium is [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Ru+4].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methanone;ruthenium(4+);triphenylphosphanium?
The InChIKey is HEQXPAZWAOPZKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.4CHO.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h1-15H;4*1H;/q;4*-1;+4/p+1.
What are the key properties of methanone;ruthenium(4+);triphenylphosphanium?
methanone;ruthenium(4+);triphenylphosphanium has a molecular weight of 480.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;ruthenium(4+);triphenylphosphanium is sourced from PubChem (CID 87465370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).