dodecyl-diethyl-phenylphosphanium

C22H40P+ — CID 23177091

IUPACdodecyl-diethyl-phenylphosphanium
SMILESCCCCCCCCCCCC[P+](CC)(CC)c1ccccc1
InChIInChI=1S/C22H40P/c1-4-7-8-9-10-11-12-13-14-18-21-23(5-2,6-3)22-19-16-15-17-20-22/h15-17,19-20H,4-14,18,21H2,1-3H3/q+1
InChIKeyDTXXGWFTFSSACH-UHFFFAOYSA-N
MW335.54 g/mol
LogP7.29
Rot. Bonds14

About dodecyl-diethyl-phenylphosphanium

dodecyl-diethyl-phenylphosphanium (PubChem CID 23177091) has the molecular formula C22H40P+ and a molecular weight of 335.54 g/mol. Its IUPAC name is dodecyl-diethyl-phenylphosphanium.

Molecular Properties

Compound Namedodecyl-diethyl-phenylphosphanium
PubChem CID23177091
Molecular FormulaC22H40P+
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Namedodecyl-diethyl-phenylphosphanium
SMILESCCCCCCCCCCCC[P+](CC)(CC)c1ccccc1
InChIInChI=1S/C22H40P/c1-4-7-8-9-10-11-12-13-14-18-21-23(5-2,6-3)22-19-16-15-17-20-22/h15-17,19-20H,4-14,18,21H2,1-3H3/q+1
InChIKeyDTXXGWFTFSSACH-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 57.29
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

tetraphenylboranuide;trihexyl(phenyl)phosphanium
CID 87662204
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
decyl-dimethyl-phenylphosphanium
CID 67813887
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
dodecyl-dimethyl-phenylphosphanium chloride
CID 22117723
hydroxy-octyl-diphenylphosphanium
CID 67135899
triethyl(phenyl)phosphanium chloride
CID 21464749

Frequently Asked Questions

What is the IUPAC name of dodecyl-diethyl-phenylphosphanium?
The IUPAC name of dodecyl-diethyl-phenylphosphanium (CID 23177091) is dodecyl-diethyl-phenylphosphanium.
What is the SMILES notation for dodecyl-diethyl-phenylphosphanium?
The canonical SMILES for dodecyl-diethyl-phenylphosphanium is CCCCCCCCCCCC[P+](CC)(CC)c1ccccc1.
What is the InChIKey of dodecyl-diethyl-phenylphosphanium?
The InChIKey is DTXXGWFTFSSACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40P/c1-4-7-8-9-10-11-12-13-14-18-21-23(5-2,6-3)22-19-16-15-17-20-22/h15-17,19-20H,4-14,18,21H2,1-3H3/q+1.
What are the key properties of dodecyl-diethyl-phenylphosphanium?
dodecyl-diethyl-phenylphosphanium has a molecular weight of 335.54 g/mol, XLogP of 7.29, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-diethyl-phenylphosphanium is sourced from PubChem (CID 23177091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).