5,5-diethoxypentyl(triphenyl)phosphanium

C27H34O2P+ — CID 156628237

IUPAC5,5-diethoxypentyl(triphenyl)phosphanium
SMILESCCOC(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C27H34O2P/c1-3-28-27(29-4-2)22-14-15-23-30(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,27H,3-4,14-15,22-23H2,1-2H3/q+1
InChIKeyDALXLNFSOISHDL-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.55
Rot. Bonds12

About 5,5-diethoxypentyl(triphenyl)phosphanium

5,5-diethoxypentyl(triphenyl)phosphanium (PubChem CID 156628237) has the molecular formula C27H34O2P+ and a molecular weight of 421.54 g/mol. Its IUPAC name is 5,5-diethoxypentyl(triphenyl)phosphanium.

Molecular Properties

Compound Name5,5-diethoxypentyl(triphenyl)phosphanium
PubChem CID156628237
Molecular FormulaC27H34O2P+
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name5,5-diethoxypentyl(triphenyl)phosphanium
SMILESCCOC(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C27H34O2P/c1-3-28-27(29-4-2)22-14-15-23-30(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,27H,3-4,14-15,22-23H2,1-2H3/q+1
InChIKeyDALXLNFSOISHDL-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

13,13-diethoxytridecyl(triphenyl)phosphanium
CID 156628251
5-(1-ethoxyethoxy)pentyl-triphenylphosphanium
CID 71386152
[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride
CID 175312685
[(E)-11,11-dibutoxyundec-4-enyl]-triphenylphosphanium
CID 175312604
[(E)-11,11-diheptoxyundec-4-enyl]-triphenylphosphanium
CID 175312666
hexyl(triphenyl)phosphanium
CID 2724570
11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride
CID 175312709
5-methoxyheptyl(triphenyl)phosphanium
CID 86248653
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

Frequently Asked Questions

What is the IUPAC name of 5,5-diethoxypentyl(triphenyl)phosphanium?
The IUPAC name of 5,5-diethoxypentyl(triphenyl)phosphanium (CID 156628237) is 5,5-diethoxypentyl(triphenyl)phosphanium.
What is the SMILES notation for 5,5-diethoxypentyl(triphenyl)phosphanium?
The canonical SMILES for 5,5-diethoxypentyl(triphenyl)phosphanium is CCOC(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCC.
What is the InChIKey of 5,5-diethoxypentyl(triphenyl)phosphanium?
The InChIKey is DALXLNFSOISHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O2P/c1-3-28-27(29-4-2)22-14-15-23-30(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,27H,3-4,14-15,22-23H2,1-2H3/q+1.
What are the key properties of 5,5-diethoxypentyl(triphenyl)phosphanium?
5,5-diethoxypentyl(triphenyl)phosphanium has a molecular weight of 421.54 g/mol, XLogP of 5.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethoxypentyl(triphenyl)phosphanium is sourced from PubChem (CID 156628237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).