dodecyl-tri(tetradecyl)phosphanium

C54H112P+ — CID 87807387

IUPACdodecyl-tri(tetradecyl)phosphanium
SMILESCCCCCCCCCCCCCC[P+](CCCCCCCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C54H112P/c1-5-9-13-17-21-25-29-32-36-40-44-48-52-55(51-47-43-39-35-28-24-20-16-12-8-4,53-49-45-41-37-33-30-26-22-18-14-10-6-2)54-50-46-42-38-34-31-27-23-19-15-11-7-3/h5-54H2,1-4H3/q+1
InChIKeyRVQOYARXBFLUKB-UHFFFAOYSA-N
MW792.46 g/mol
LogP21.03
Rot. Bonds50

About dodecyl-tri(tetradecyl)phosphanium

dodecyl-tri(tetradecyl)phosphanium (PubChem CID 87807387) has the molecular formula C54H112P+ and a molecular weight of 792.46 g/mol. Its IUPAC name is dodecyl-tri(tetradecyl)phosphanium.

Molecular Properties

Compound Namedodecyl-tri(tetradecyl)phosphanium
PubChem CID87807387
Molecular FormulaC54H112P+
Molecular Weight792.46 g/mol
Exact Mass791.85
IUPAC Namedodecyl-tri(tetradecyl)phosphanium
SMILESCCCCCCCCCCCCCC[P+](CCCCCCCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C54H112P/c1-5-9-13-17-21-25-29-32-36-40-44-48-52-55(51-47-43-39-35-28-24-20-16-12-8-4,53-49-45-41-37-33-30-26-22-18-14-10-6-2)54-50-46-42-38-34-31-27-23-19-15-11-7-3/h5-54H2,1-4H3/q+1
InChIKeyRVQOYARXBFLUKB-UHFFFAOYSA-N
XLogP21.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds50
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.46
LogP ≤ 521.03
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
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 dodecyl-tri(tetradecyl)phosphanium?
The IUPAC name of dodecyl-tri(tetradecyl)phosphanium (CID 87807387) is dodecyl-tri(tetradecyl)phosphanium.
What is the SMILES notation for dodecyl-tri(tetradecyl)phosphanium?
The canonical SMILES for dodecyl-tri(tetradecyl)phosphanium is CCCCCCCCCCCCCC[P+](CCCCCCCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of dodecyl-tri(tetradecyl)phosphanium?
The InChIKey is RVQOYARXBFLUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H112P/c1-5-9-13-17-21-25-29-32-36-40-44-48-52-55(51-47-43-39-35-28-24-20-16-12-8-4,53-49-45-41-37-33-30-26-22-18-14-10-6-2)54-50-46-42-38-34-31-27-23-19-15-11-7-3/h5-54H2,1-4H3/q+1.
What are the key properties of dodecyl-tri(tetradecyl)phosphanium?
dodecyl-tri(tetradecyl)phosphanium has a molecular weight of 792.46 g/mol, XLogP of 21.03, 50 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-tri(tetradecyl)phosphanium is sourced from PubChem (CID 87807387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).