dioctyl(dipropyl)phosphanium bromide

C22H48BrP — CID 87778795

IUPACdioctyl(dipropyl)phosphanium bromide
SMILESCCCCCCCC[P+](CCC)(CCC)CCCCCCCC.[Br-]
InChIInChI=1S/C22H48P.BrH/c1-5-9-11-13-15-17-21-23(19-7-3,20-8-4)22-18-16-14-12-10-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyQAJDWUBJTJEXRE-UHFFFAOYSA-M
MW423.50 g/mol
LogP5.55
Rot. Bonds18

About dioctyl(dipropyl)phosphanium bromide

dioctyl(dipropyl)phosphanium bromide (PubChem CID 87778795) has the molecular formula C22H48BrP and a molecular weight of 423.50 g/mol. Its IUPAC name is dioctyl(dipropyl)phosphanium bromide.

Molecular Properties

Compound Namedioctyl(dipropyl)phosphanium bromide
PubChem CID87778795
Molecular FormulaC22H48BrP
Molecular Weight423.50 g/mol
Exact Mass422.27
IUPAC Namedioctyl(dipropyl)phosphanium bromide
SMILESCCCCCCCC[P+](CCC)(CCC)CCCCCCCC.[Br-]
InChIInChI=1S/C22H48P.BrH/c1-5-9-11-13-15-17-21-23(19-7-3,20-8-4)22-18-16-14-12-10-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyQAJDWUBJTJEXRE-UHFFFAOYSA-M
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

tripentyl(propyl)phosphanium bromide
CID 87779046
heptyl-pentyl-dipropylphosphanium
CID 87507955
butyl-dioctyl-propylphosphanium
CID 87508429
octadecyl(tripropyl)phosphanium chloride
CID 87778623
pentyl(tripropyl)phosphanium iodide
CID 87777868
tributyl(pentadecyl)phosphanium bromide
CID 86639781
dibutyl-pentyl-propylphosphanium
CID 87507891
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
dodecyl-tri(tetradecyl)phosphanium
CID 87807387

Frequently Asked Questions

What is the IUPAC name of dioctyl(dipropyl)phosphanium bromide?
The IUPAC name of dioctyl(dipropyl)phosphanium bromide (CID 87778795) is dioctyl(dipropyl)phosphanium bromide.
What is the SMILES notation for dioctyl(dipropyl)phosphanium bromide?
The canonical SMILES for dioctyl(dipropyl)phosphanium bromide is CCCCCCCC[P+](CCC)(CCC)CCCCCCCC.[Br-].
What is the InChIKey of dioctyl(dipropyl)phosphanium bromide?
The InChIKey is QAJDWUBJTJEXRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H48P.BrH/c1-5-9-11-13-15-17-21-23(19-7-3,20-8-4)22-18-16-14-12-10-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dioctyl(dipropyl)phosphanium bromide?
dioctyl(dipropyl)phosphanium bromide has a molecular weight of 423.50 g/mol, XLogP of 5.55, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dioctyl(dipropyl)phosphanium bromide is sourced from PubChem (CID 87778795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).