icosyl-tris(2-methylpropyl)phosphanium

C32H68P+ — CID 18419786

IUPACicosyl-tris(2-methylpropyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCCCC[P+](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C32H68P/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33(27-30(2)3,28-31(4)5)29-32(6)7/h30-32H,8-29H2,1-7H3/q+1
InChIKeyLSHUDRKFZGWOLJ-UHFFFAOYSA-N
MW483.87 g/mol
LogP12.01
Rot. Bonds25

About icosyl-tris(2-methylpropyl)phosphanium

icosyl-tris(2-methylpropyl)phosphanium (PubChem CID 18419786) has the molecular formula C32H68P+ and a molecular weight of 483.87 g/mol. Its IUPAC name is icosyl-tris(2-methylpropyl)phosphanium.

Molecular Properties

Compound Nameicosyl-tris(2-methylpropyl)phosphanium
PubChem CID18419786
Molecular FormulaC32H68P+
Molecular Weight483.87 g/mol
Exact Mass483.51
IUPAC Nameicosyl-tris(2-methylpropyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCCCC[P+](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C32H68P/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33(27-30(2)3,28-31(4)5)29-32(6)7/h30-32H,8-29H2,1-7H3/q+1
InChIKeyLSHUDRKFZGWOLJ-UHFFFAOYSA-N
XLogP12.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.87
LogP ≤ 512.01
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
dihexyl(dioctyl)phosphanium
CID 87323731
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

Frequently Asked Questions

What is the IUPAC name of icosyl-tris(2-methylpropyl)phosphanium?
The IUPAC name of icosyl-tris(2-methylpropyl)phosphanium (CID 18419786) is icosyl-tris(2-methylpropyl)phosphanium.
What is the SMILES notation for icosyl-tris(2-methylpropyl)phosphanium?
The canonical SMILES for icosyl-tris(2-methylpropyl)phosphanium is CCCCCCCCCCCCCCCCCCCC[P+](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of icosyl-tris(2-methylpropyl)phosphanium?
The InChIKey is LSHUDRKFZGWOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68P/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33(27-30(2)3,28-31(4)5)29-32(6)7/h30-32H,8-29H2,1-7H3/q+1.
What are the key properties of icosyl-tris(2-methylpropyl)phosphanium?
icosyl-tris(2-methylpropyl)phosphanium has a molecular weight of 483.87 g/mol, XLogP of 12.01, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosyl-tris(2-methylpropyl)phosphanium is sourced from PubChem (CID 18419786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).