tributyl(icosyl)phosphanium

C32H68P+ — CID 23086982

IUPACtributyl(icosyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C32H68P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29-10-6-2,30-11-7-3)31-12-8-4/h5-32H2,1-4H3/q+1
InChIKeyRWTQMIBHQVKOJV-UHFFFAOYSA-N
MW483.87 g/mol
LogP12.45
Rot. Bonds28

About tributyl(icosyl)phosphanium

tributyl(icosyl)phosphanium (PubChem CID 23086982) has the molecular formula C32H68P+ and a molecular weight of 483.87 g/mol. Its IUPAC name is tributyl(icosyl)phosphanium.

Molecular Properties

Compound Nametributyl(icosyl)phosphanium
PubChem CID23086982
Molecular FormulaC32H68P+
Molecular Weight483.87 g/mol
Exact Mass483.51
IUPAC Nametributyl(icosyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C32H68P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29-10-6-2,30-11-7-3)31-12-8-4/h5-32H2,1-4H3/q+1
InChIKeyRWTQMIBHQVKOJV-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.87
LogP ≤ 512.45
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

tributyl(tridecyl)phosphanium
CID 87194469
butyl(triheptyl)phosphanium
CID 87777247
tributyl(pentadecyl)phosphanium bromide
CID 86639781
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
azane;tributyl(hexadecyl)phosphanium
CID 172712894
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
heptyl-tri(undecyl)phosphanium
CID 87895668
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708

Frequently Asked Questions

What is the IUPAC name of tributyl(icosyl)phosphanium?
The IUPAC name of tributyl(icosyl)phosphanium (CID 23086982) is tributyl(icosyl)phosphanium.
What is the SMILES notation for tributyl(icosyl)phosphanium?
The canonical SMILES for tributyl(icosyl)phosphanium is CCCCCCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(icosyl)phosphanium?
The InChIKey is RWTQMIBHQVKOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29-10-6-2,30-11-7-3)31-12-8-4/h5-32H2,1-4H3/q+1.
What are the key properties of tributyl(icosyl)phosphanium?
tributyl(icosyl)phosphanium has a molecular weight of 483.87 g/mol, XLogP of 12.45, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(icosyl)phosphanium is sourced from PubChem (CID 23086982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).