tri(nonadecyl)-undecylphosphanium

C68H140P+ — CID 87808807

IUPACtri(nonadecyl)-undecylphosphanium
SMILESCCCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCC)(CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C68H140P/c1-5-9-13-17-21-25-28-31-34-37-40-43-46-50-54-58-62-66-69(65-61-57-53-49-24-20-16-12-8-4,67-63-59-55-51-47-44-41-38-35-32-29-26-22-18-14-10-6-2)68-64-60-56-52-48-45-42-39-36-33-30-27-23-19-15-11-7-3/h5-68H2,1-4H3/q+1
InChIKeyFOWGSTDZQWXIQS-UHFFFAOYSA-N
MW988.84 g/mol
LogP26.49
Rot. Bonds64

About tri(nonadecyl)-undecylphosphanium

tri(nonadecyl)-undecylphosphanium (PubChem CID 87808807) has the molecular formula C68H140P+ and a molecular weight of 988.84 g/mol. Its IUPAC name is tri(nonadecyl)-undecylphosphanium.

Molecular Properties

Compound Nametri(nonadecyl)-undecylphosphanium
PubChem CID87808807
Molecular FormulaC68H140P+
Molecular Weight988.84 g/mol
Exact Mass988.07
IUPAC Nametri(nonadecyl)-undecylphosphanium
SMILESCCCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCC)(CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C68H140P/c1-5-9-13-17-21-25-28-31-34-37-40-43-46-50-54-58-62-66-69(65-61-57-53-49-24-20-16-12-8-4,67-63-59-55-51-47-44-41-38-35-32-29-26-22-18-14-10-6-2)68-64-60-56-52-48-45-42-39-36-33-30-27-23-19-15-11-7-3/h5-68H2,1-4H3/q+1
InChIKeyFOWGSTDZQWXIQS-UHFFFAOYSA-N
XLogP26.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds64
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.84
LogP ≤ 526.49
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
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
butyl(triheptyl)phosphanium
CID 87777247

Frequently Asked Questions

What is the IUPAC name of tri(nonadecyl)-undecylphosphanium?
The IUPAC name of tri(nonadecyl)-undecylphosphanium (CID 87808807) is tri(nonadecyl)-undecylphosphanium.
What is the SMILES notation for tri(nonadecyl)-undecylphosphanium?
The canonical SMILES for tri(nonadecyl)-undecylphosphanium is CCCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCC)(CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of tri(nonadecyl)-undecylphosphanium?
The InChIKey is FOWGSTDZQWXIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H140P/c1-5-9-13-17-21-25-28-31-34-37-40-43-46-50-54-58-62-66-69(65-61-57-53-49-24-20-16-12-8-4,67-63-59-55-51-47-44-41-38-35-32-29-26-22-18-14-10-6-2)68-64-60-56-52-48-45-42-39-36-33-30-27-23-19-15-11-7-3/h5-68H2,1-4H3/q+1.
What are the key properties of tri(nonadecyl)-undecylphosphanium?
tri(nonadecyl)-undecylphosphanium has a molecular weight of 988.84 g/mol, XLogP of 26.49, 64 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(nonadecyl)-undecylphosphanium is sourced from PubChem (CID 87808807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).