dihexyl(dioctyl)phosphanium

C28H60P+ — CID 87323731

IUPACdihexyl(dioctyl)phosphanium
SMILESCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCC
InChIInChI=1S/C28H60P/c1-5-9-13-17-19-23-27-29(25-21-15-11-7-3,26-22-16-12-8-4)28-24-20-18-14-10-6-2/h5-28H2,1-4H3/q+1
InChIKeyGTUCZSUCVIZETF-UHFFFAOYSA-N
MW427.76 g/mol
LogP10.89
Rot. Bonds24

About dihexyl(dioctyl)phosphanium

dihexyl(dioctyl)phosphanium (PubChem CID 87323731) has the molecular formula C28H60P+ and a molecular weight of 427.76 g/mol. Its IUPAC name is dihexyl(dioctyl)phosphanium.

Molecular Properties

Compound Namedihexyl(dioctyl)phosphanium
PubChem CID87323731
Molecular FormulaC28H60P+
Molecular Weight427.76 g/mol
Exact Mass427.44
IUPAC Namedihexyl(dioctyl)phosphanium
SMILESCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCC
InChIInChI=1S/C28H60P/c1-5-9-13-17-19-23-27-29(25-21-15-11-7-3,26-22-16-12-8-4)28-24-20-18-14-10-6-2/h5-28H2,1-4H3/q+1
InChIKeyGTUCZSUCVIZETF-UHFFFAOYSA-N
XLogP10.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.76
LogP ≤ 510.89
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

tri(heptadecyl)-pentadecylphosphanium
CID 87810198
heptyl-tri(undecyl)phosphanium
CID 87895668
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tridodecyl(heptyl)phosphanium
CID 87810947
trioctyl(undecyl)phosphanium
CID 87776674
tripentyl(tridecyl)phosphanium
CID 87194414
nonyl-tri(pentadecyl)phosphanium
CID 87807671
butyl(triheptyl)phosphanium
CID 87777247

Frequently Asked Questions

What is the IUPAC name of dihexyl(dioctyl)phosphanium?
The IUPAC name of dihexyl(dioctyl)phosphanium (CID 87323731) is dihexyl(dioctyl)phosphanium.
What is the SMILES notation for dihexyl(dioctyl)phosphanium?
The canonical SMILES for dihexyl(dioctyl)phosphanium is CCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCC.
What is the InChIKey of dihexyl(dioctyl)phosphanium?
The InChIKey is GTUCZSUCVIZETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60P/c1-5-9-13-17-19-23-27-29(25-21-15-11-7-3,26-22-16-12-8-4)28-24-20-18-14-10-6-2/h5-28H2,1-4H3/q+1.
What are the key properties of dihexyl(dioctyl)phosphanium?
dihexyl(dioctyl)phosphanium has a molecular weight of 427.76 g/mol, XLogP of 10.89, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(dioctyl)phosphanium is sourced from PubChem (CID 87323731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).