diethyl(dihexyl)phosphanium

C16H36P+ — CID 22000710

IUPACdiethyl(dihexyl)phosphanium
SMILESCCCCCC[P+](CC)(CC)CCCCCC
InChIInChI=1S/C16H36P/c1-5-9-11-13-15-17(7-3,8-4)16-14-12-10-6-2/h5-16H2,1-4H3/q+1
InChIKeyWHEIVIMDKGRINU-UHFFFAOYSA-N
MW259.44 g/mol
LogP6.20
Rot. Bonds12

About diethyl(dihexyl)phosphanium

diethyl(dihexyl)phosphanium (PubChem CID 22000710) has the molecular formula C16H36P+ and a molecular weight of 259.44 g/mol. Its IUPAC name is diethyl(dihexyl)phosphanium.

Molecular Properties

Compound Namediethyl(dihexyl)phosphanium
PubChem CID22000710
Molecular FormulaC16H36P+
Molecular Weight259.44 g/mol
Exact Mass259.25
IUPAC Namediethyl(dihexyl)phosphanium
SMILESCCCCCC[P+](CC)(CC)CCCCCC
InChIInChI=1S/C16H36P/c1-5-9-11-13-15-17(7-3,8-4)16-14-12-10-6-2/h5-16H2,1-4H3/q+1
InChIKeyWHEIVIMDKGRINU-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 56.20
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

didecyl(diethyl)phosphanium
CID 87777324
diethyl-di(tetradecyl)phosphanium bromide
CID 87778577
butyl-diethyl-hexylphosphanium
CID 87509146
triethyl(octyl)phosphanium
CID 18769208
butyl-ethyl-dioctylphosphanium
CID 87508514
ethyl-hexyl-dipropylphosphanium
CID 87508300
tridodecyl(heptyl)phosphanium
CID 87810947
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
heptyl-tri(undecyl)phosphanium
CID 87895668
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 diethyl(dihexyl)phosphanium?
The IUPAC name of diethyl(dihexyl)phosphanium (CID 22000710) is diethyl(dihexyl)phosphanium.
What is the SMILES notation for diethyl(dihexyl)phosphanium?
The canonical SMILES for diethyl(dihexyl)phosphanium is CCCCCC[P+](CC)(CC)CCCCCC.
What is the InChIKey of diethyl(dihexyl)phosphanium?
The InChIKey is WHEIVIMDKGRINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P/c1-5-9-11-13-15-17(7-3,8-4)16-14-12-10-6-2/h5-16H2,1-4H3/q+1.
What are the key properties of diethyl(dihexyl)phosphanium?
diethyl(dihexyl)phosphanium has a molecular weight of 259.44 g/mol, XLogP of 6.20, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(dihexyl)phosphanium is sourced from PubChem (CID 22000710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).