tri(nonyl)-octylphosphanium

C35H74P+ — CID 87811687

IUPACtri(nonyl)-octylphosphanium
SMILESCCCCCCCCC[P+](CCCCCCCC)(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C35H74P/c1-5-9-13-17-21-25-29-33-36(32-28-24-20-16-12-8-4,34-30-26-22-18-14-10-6-2)35-31-27-23-19-15-11-7-3/h5-35H2,1-4H3/q+1
InChIKeyCRGYZMLTDLLYOZ-UHFFFAOYSA-N
MW525.95 g/mol
LogP13.62
Rot. Bonds31

About tri(nonyl)-octylphosphanium

tri(nonyl)-octylphosphanium (PubChem CID 87811687) has the molecular formula C35H74P+ and a molecular weight of 525.95 g/mol. Its IUPAC name is tri(nonyl)-octylphosphanium.

Molecular Properties

Compound Nametri(nonyl)-octylphosphanium
PubChem CID87811687
Molecular FormulaC35H74P+
Molecular Weight525.95 g/mol
Exact Mass525.55
IUPAC Nametri(nonyl)-octylphosphanium
SMILESCCCCCCCCC[P+](CCCCCCCC)(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C35H74P/c1-5-9-13-17-21-25-29-33-36(32-28-24-20-16-12-8-4,34-30-26-22-18-14-10-6-2)35-31-27-23-19-15-11-7-3/h5-35H2,1-4H3/q+1
InChIKeyCRGYZMLTDLLYOZ-UHFFFAOYSA-N
XLogP13.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.95
LogP ≤ 513.62
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
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(nonyl)-octylphosphanium?
The IUPAC name of tri(nonyl)-octylphosphanium (CID 87811687) is tri(nonyl)-octylphosphanium.
What is the SMILES notation for tri(nonyl)-octylphosphanium?
The canonical SMILES for tri(nonyl)-octylphosphanium is CCCCCCCCC[P+](CCCCCCCC)(CCCCCCCCC)CCCCCCCCC.
What is the InChIKey of tri(nonyl)-octylphosphanium?
The InChIKey is CRGYZMLTDLLYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H74P/c1-5-9-13-17-21-25-29-33-36(32-28-24-20-16-12-8-4,34-30-26-22-18-14-10-6-2)35-31-27-23-19-15-11-7-3/h5-35H2,1-4H3/q+1.
What are the key properties of tri(nonyl)-octylphosphanium?
tri(nonyl)-octylphosphanium has a molecular weight of 525.95 g/mol, XLogP of 13.62, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(nonyl)-octylphosphanium is sourced from PubChem (CID 87811687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).