trioctyl(undecyl)phosphanium

C35H74P+ — CID 87776674

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

About trioctyl(undecyl)phosphanium

trioctyl(undecyl)phosphanium (PubChem CID 87776674) has the molecular formula C35H74P+ and a molecular weight of 525.95 g/mol. Its IUPAC name is trioctyl(undecyl)phosphanium.

Molecular Properties

Compound Nametrioctyl(undecyl)phosphanium
PubChem CID87776674
Molecular FormulaC35H74P+
Molecular Weight525.95 g/mol
Exact Mass525.55
IUPAC Nametrioctyl(undecyl)phosphanium
SMILESCCCCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C35H74P/c1-5-9-13-17-21-22-23-27-31-35-36(32-28-24-18-14-10-6-2,33-29-25-19-15-11-7-3)34-30-26-20-16-12-8-4/h5-35H2,1-4H3/q+1
InChIKeyURMJCTCONDOOPA-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
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
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 trioctyl(undecyl)phosphanium?
The IUPAC name of trioctyl(undecyl)phosphanium (CID 87776674) is trioctyl(undecyl)phosphanium.
What is the SMILES notation for trioctyl(undecyl)phosphanium?
The canonical SMILES for trioctyl(undecyl)phosphanium is CCCCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of trioctyl(undecyl)phosphanium?
The InChIKey is URMJCTCONDOOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H74P/c1-5-9-13-17-21-22-23-27-31-35-36(32-28-24-18-14-10-6-2,33-29-25-19-15-11-7-3)34-30-26-20-16-12-8-4/h5-35H2,1-4H3/q+1.
What are the key properties of trioctyl(undecyl)phosphanium?
trioctyl(undecyl)phosphanium 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 trioctyl(undecyl)phosphanium is sourced from PubChem (CID 87776674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).