2-oxopentyl(triphenyl)phosphanium

C23H24OP+ — CID 20542903

IUPAC2-oxopentyl(triphenyl)phosphanium
SMILESCCCC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24OP/c1-2-12-20(24)19-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18H,2,12,19H2,1H3/q+1
InChIKeyVQLLUGWBIFYAKD-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.35
Rot. Bonds7

About 2-oxopentyl(triphenyl)phosphanium

2-oxopentyl(triphenyl)phosphanium (PubChem CID 20542903) has the molecular formula C23H24OP+ and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-oxopentyl(triphenyl)phosphanium.

Molecular Properties

Compound Name2-oxopentyl(triphenyl)phosphanium
PubChem CID20542903
Molecular FormulaC23H24OP+
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-oxopentyl(triphenyl)phosphanium
SMILESCCCC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24OP/c1-2-12-20(24)19-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18H,2,12,19H2,1H3/q+1
InChIKeyVQLLUGWBIFYAKD-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-oxooctyl(triphenyl)phosphanium iodide
CID 158193505
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
(6-chloro-2-oxohexyl)-triphenylphosphanium chloride
CID 20526427
(3-chloro-2-oxopropyl)-triphenylphosphanium chloride
CID 2773628
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
(2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate
CID 12548333
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide
CID 19850748
butanoate;tetraphenylphosphanium
CID 146567473
(3-ethoxy-2,3-dioxopropyl)-triphenylphosphanium bromide
CID 2773638
butanoyloxy(triphenyl)phosphanium
CID 57167471
2-hydroxyprop-2-enyl(triphenyl)phosphanium
CID 87987805
benzyl(triphenyl)phosphanium;fluoro butanoate
CID 87986174

Frequently Asked Questions

What is the IUPAC name of 2-oxopentyl(triphenyl)phosphanium?
The IUPAC name of 2-oxopentyl(triphenyl)phosphanium (CID 20542903) is 2-oxopentyl(triphenyl)phosphanium.
What is the SMILES notation for 2-oxopentyl(triphenyl)phosphanium?
The canonical SMILES for 2-oxopentyl(triphenyl)phosphanium is CCCC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-oxopentyl(triphenyl)phosphanium?
The InChIKey is VQLLUGWBIFYAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24OP/c1-2-12-20(24)19-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18H,2,12,19H2,1H3/q+1.
What are the key properties of 2-oxopentyl(triphenyl)phosphanium?
2-oxopentyl(triphenyl)phosphanium has a molecular weight of 347.42 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopentyl(triphenyl)phosphanium is sourced from PubChem (CID 20542903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).