2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+)

C24H20O5PRh+ — CID 88635209

IUPAC2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+)
SMILES[CH-]=O.[CH2-]C(=O)CC(=O)C(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Rh+2]
InChIInChI=1S/C23H19O4P.CHO.Rh/c1-18(24)17-22(25)23(26)27-28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-2;/h2-16H,1,17H2;1H;/q;-1;+2
InChIKeyALKHXBASBFKCRO-UHFFFAOYSA-N
MW522.30 g/mol
LogP2.52
Rot. Bonds7

About 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+)

2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+) (PubChem CID 88635209) has the molecular formula C24H20O5PRh+ and a molecular weight of 522.30 g/mol. Its IUPAC name is 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+).

Molecular Properties

Compound Name2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+)
PubChem CID88635209
Molecular FormulaC24H20O5PRh+
Molecular Weight522.30 g/mol
Exact Mass522.01
IUPAC Name2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+)
SMILES[CH-]=O.[CH2-]C(=O)CC(=O)C(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Rh+2]
InChIInChI=1S/C23H19O4P.CHO.Rh/c1-18(24)17-22(25)23(26)27-28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-2;/h2-16H,1,17H2;1H;/q;-1;+2
InChIKeyALKHXBASBFKCRO-UHFFFAOYSA-N
XLogP2.52
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,4-dioxopentanoyloxy(triphenyl)phosphanium
CID 88635210
2-methylbutanoyloxy(triphenyl)phosphanium
CID 174535437
butanoyloxy(triphenyl)phosphanium
CID 57167471
CID 177420589
CID 177420589
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006
(2-formyl-3-oxobutanoyl)oxy-triphenylphosphanium
CID 57193931
methyl carbonobromidate;methyl(triphenyl)phosphanium
CID 146562792
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
methyl 2-(2-phenylethyl)but-2-enoate
CID 162347431
naphthalen-1-yl-phenacyl-diphenylphosphanium
CID 139734884
[(Z)-2-hydroxy-4-oxo-4-propan-2-yloxybut-1-enyl]-triphenylphosphanium
CID 10644910
triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide
CID 87509247

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+)?
The IUPAC name of 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+) (CID 88635209) is 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+).
What is the SMILES notation for 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+)?
The canonical SMILES for 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+) is [CH-]=O.[CH2-]C(=O)CC(=O)C(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Rh+2].
What is the InChIKey of 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+)?
The InChIKey is ALKHXBASBFKCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19O4P.CHO.Rh/c1-18(24)17-22(25)23(26)27-28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-2;/h2-16H,1,17H2;1H;/q;-1;+2.
What are the key properties of 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+)?
2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+) has a molecular weight of 522.30 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxopentanoyloxy(triphenyl)phosphanium;methanone;rhodium(2+) is sourced from PubChem (CID 88635209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).