2,4-dioxopentanoyloxy(triphenyl)phosphanium

C23H20O4P+ — CID 88635210

IUPAC2,4-dioxopentanoyloxy(triphenyl)phosphanium
SMILESCC(=O)CC(=O)C(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O4P/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/h2-16H,17H2,1H3/q+1
InChIKeyQVNLQEXFSNJQQP-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.99
Rot. Bonds7

About 2,4-dioxopentanoyloxy(triphenyl)phosphanium

2,4-dioxopentanoyloxy(triphenyl)phosphanium (PubChem CID 88635210) has the molecular formula C23H20O4P+ and a molecular weight of 391.38 g/mol. Its IUPAC name is 2,4-dioxopentanoyloxy(triphenyl)phosphanium.

Molecular Properties

Compound Name2,4-dioxopentanoyloxy(triphenyl)phosphanium
PubChem CID88635210
Molecular FormulaC23H20O4P+
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name2,4-dioxopentanoyloxy(triphenyl)phosphanium
SMILESCC(=O)CC(=O)C(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O4P/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/h2-16H,17H2,1H3/q+1
InChIKeyQVNLQEXFSNJQQP-UHFFFAOYSA-N
XLogP2.99
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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;methanone;rhodium(2+)
CID 88635209
butanoyloxy(triphenyl)phosphanium
CID 57167471
2-methylbutanoyloxy(triphenyl)phosphanium
CID 174535437
(2-formyl-3-oxobutanoyl)oxy-triphenylphosphanium
CID 57193931
tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane
CID 173386840
CID 177420589
CID 177420589
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006
(2-methoxy-2-oxo-1-phenylethyl) 3-oxobutanoate
CID 54537935
(1-anilino-1-sulfanylidenepropan-2-yl) 3-oxobutanoate
CID 101042453
(2S,3S)-2-acetyloxy-3-(dibenzylamino)-4-phenylbutanoic acid
CID 22880944
(E)-4-methyl-6-phenylhept-4-en-2-one
CID 10241959
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxopentanoyloxy(triphenyl)phosphanium?
The IUPAC name of 2,4-dioxopentanoyloxy(triphenyl)phosphanium (CID 88635210) is 2,4-dioxopentanoyloxy(triphenyl)phosphanium.
What is the SMILES notation for 2,4-dioxopentanoyloxy(triphenyl)phosphanium?
The canonical SMILES for 2,4-dioxopentanoyloxy(triphenyl)phosphanium is CC(=O)CC(=O)C(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-dioxopentanoyloxy(triphenyl)phosphanium?
The InChIKey is QVNLQEXFSNJQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4P/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/h2-16H,17H2,1H3/q+1.
What are the key properties of 2,4-dioxopentanoyloxy(triphenyl)phosphanium?
2,4-dioxopentanoyloxy(triphenyl)phosphanium has a molecular weight of 391.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxopentanoyloxy(triphenyl)phosphanium is sourced from PubChem (CID 88635210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).