5-methoxyheptyl(triphenyl)phosphanium

C26H32OP+ — CID 86248653

IUPAC5-methoxyheptyl(triphenyl)phosphanium
SMILESCCC(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C26H32OP/c1-3-23(27-2)15-13-14-22-28(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h4-12,16-21,23H,3,13-15,22H2,1-2H3/q+1
InChIKeyUYHGZCKZIUMURQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.58
Rot. Bonds10

About 5-methoxyheptyl(triphenyl)phosphanium

5-methoxyheptyl(triphenyl)phosphanium (PubChem CID 86248653) has the molecular formula C26H32OP+ and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-methoxyheptyl(triphenyl)phosphanium.

Molecular Properties

Compound Name5-methoxyheptyl(triphenyl)phosphanium
PubChem CID86248653
Molecular FormulaC26H32OP+
Molecular Weight391.52 g/mol
Exact Mass391.22
IUPAC Name5-methoxyheptyl(triphenyl)phosphanium
SMILESCCC(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C26H32OP/c1-3-23(27-2)15-13-14-22-28(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h4-12,16-21,23H,3,13-15,22H2,1-2H3/q+1
InChIKeyUYHGZCKZIUMURQ-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methoxybutyl(triphenyl)phosphanium
CID 86618875
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
hexyl(triphenyl)phosphanium
CID 2724570
13,13-diethoxytridecyl(triphenyl)phosphanium
CID 156628251
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
dodecyl(triphenyl)phosphanium iodide
CID 22245251
3,3-dimethoxypropyl(triphenyl)phosphanium
CID 10621039
triphenyl(undecyl)phosphanium chloride
CID 22921220
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859

Frequently Asked Questions

What is the IUPAC name of 5-methoxyheptyl(triphenyl)phosphanium?
The IUPAC name of 5-methoxyheptyl(triphenyl)phosphanium (CID 86248653) is 5-methoxyheptyl(triphenyl)phosphanium.
What is the SMILES notation for 5-methoxyheptyl(triphenyl)phosphanium?
The canonical SMILES for 5-methoxyheptyl(triphenyl)phosphanium is CCC(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of 5-methoxyheptyl(triphenyl)phosphanium?
The InChIKey is UYHGZCKZIUMURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32OP/c1-3-23(27-2)15-13-14-22-28(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h4-12,16-21,23H,3,13-15,22H2,1-2H3/q+1.
What are the key properties of 5-methoxyheptyl(triphenyl)phosphanium?
5-methoxyheptyl(triphenyl)phosphanium has a molecular weight of 391.52 g/mol, XLogP of 5.58, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyheptyl(triphenyl)phosphanium is sourced from PubChem (CID 86248653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).