dodecyl-dimethyl-phenylphosphanium chloride

C20H36ClP — CID 22117723

IUPACdodecyl-dimethyl-phenylphosphanium chloride
SMILESCCCCCCCCCCCC[P+](C)(C)c1ccccc1.[Cl-]
InChIInChI=1S/C20H36P.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-21(2,3)20-17-14-13-15-18-20;/h13-15,17-18H,4-12,16,19H2,1-3H3;1H/q+1;/p-1
InChIKeyZHTGLHKBODHSRQ-UHFFFAOYSA-M
MW342.94 g/mol
LogP3.51
Rot. Bonds12

About dodecyl-dimethyl-phenylphosphanium chloride

dodecyl-dimethyl-phenylphosphanium chloride (PubChem CID 22117723) has the molecular formula C20H36ClP and a molecular weight of 342.94 g/mol. Its IUPAC name is dodecyl-dimethyl-phenylphosphanium chloride.

Molecular Properties

Compound Namedodecyl-dimethyl-phenylphosphanium chloride
PubChem CID22117723
Molecular FormulaC20H36ClP
Molecular Weight342.94 g/mol
Exact Mass342.22
IUPAC Namedodecyl-dimethyl-phenylphosphanium chloride
SMILESCCCCCCCCCCCC[P+](C)(C)c1ccccc1.[Cl-]
InChIInChI=1S/C20H36P.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-21(2,3)20-17-14-13-15-18-20;/h13-15,17-18H,4-12,16,19H2,1-3H3;1H/q+1;/p-1
InChIKeyZHTGLHKBODHSRQ-UHFFFAOYSA-M
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.51
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

decyl-dimethyl-phenylphosphanium
CID 67813887
triphenyl(undecyl)phosphanium chloride
CID 22921220
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
dodecyl-diethyl-phenylphosphanium
CID 23177091
hydroxy-octyl-diphenylphosphanium
CID 67135899
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
benzyl-decyl-dimethylphosphanium chloride
CID 67153395

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-phenylphosphanium chloride?
The IUPAC name of dodecyl-dimethyl-phenylphosphanium chloride (CID 22117723) is dodecyl-dimethyl-phenylphosphanium chloride.
What is the SMILES notation for dodecyl-dimethyl-phenylphosphanium chloride?
The canonical SMILES for dodecyl-dimethyl-phenylphosphanium chloride is CCCCCCCCCCCC[P+](C)(C)c1ccccc1.[Cl-].
What is the InChIKey of dodecyl-dimethyl-phenylphosphanium chloride?
The InChIKey is ZHTGLHKBODHSRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36P.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-21(2,3)20-17-14-13-15-18-20;/h13-15,17-18H,4-12,16,19H2,1-3H3;1H/q+1;/p-1.
What are the key properties of dodecyl-dimethyl-phenylphosphanium chloride?
dodecyl-dimethyl-phenylphosphanium chloride has a molecular weight of 342.94 g/mol, XLogP of 3.51, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-phenylphosphanium chloride is sourced from PubChem (CID 22117723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).