dodecyl-tris(4-methylphenyl)phosphanium

C33H46P+ — CID 22556424

IUPACdodecyl-tris(4-methylphenyl)phosphanium
SMILESCCCCCCCCCCCC[P+](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C33H46P/c1-5-6-7-8-9-10-11-12-13-14-27-34(31-21-15-28(2)16-22-31,32-23-17-29(3)18-24-32)33-25-19-30(4)20-26-33/h15-26H,5-14,27H2,1-4H3/q+1
InChIKeyQQIMMOMDOVRWNR-UHFFFAOYSA-N
MW473.71 g/mol
LogP8.83
Rot. Bonds14

About dodecyl-tris(4-methylphenyl)phosphanium

dodecyl-tris(4-methylphenyl)phosphanium (PubChem CID 22556424) has the molecular formula C33H46P+ and a molecular weight of 473.71 g/mol. Its IUPAC name is dodecyl-tris(4-methylphenyl)phosphanium.

Molecular Properties

Compound Namedodecyl-tris(4-methylphenyl)phosphanium
PubChem CID22556424
Molecular FormulaC33H46P+
Molecular Weight473.71 g/mol
Exact Mass473.33
IUPAC Namedodecyl-tris(4-methylphenyl)phosphanium
SMILESCCCCCCCCCCCC[P+](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C33H46P/c1-5-6-7-8-9-10-11-12-13-14-27-34(31-21-15-28(2)16-22-31,32-23-17-29(3)18-24-32)33-25-19-30(4)20-26-33/h15-26H,5-14,27H2,1-4H3/q+1
InChIKeyQQIMMOMDOVRWNR-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.71
LogP ≤ 58.83
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

hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
dodecyl(triphenyl)phosphanium;4-methylbenzenesulfonate
CID 19831349
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
octadecyl-tris(4-phenoxyphenyl)phosphanium
CID 102265785
octane;octan-2-ol;bis(1,4-xylene)
CID 161441445
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990

Frequently Asked Questions

What is the IUPAC name of dodecyl-tris(4-methylphenyl)phosphanium?
The IUPAC name of dodecyl-tris(4-methylphenyl)phosphanium (CID 22556424) is dodecyl-tris(4-methylphenyl)phosphanium.
What is the SMILES notation for dodecyl-tris(4-methylphenyl)phosphanium?
The canonical SMILES for dodecyl-tris(4-methylphenyl)phosphanium is CCCCCCCCCCCC[P+](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of dodecyl-tris(4-methylphenyl)phosphanium?
The InChIKey is QQIMMOMDOVRWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46P/c1-5-6-7-8-9-10-11-12-13-14-27-34(31-21-15-28(2)16-22-31,32-23-17-29(3)18-24-32)33-25-19-30(4)20-26-33/h15-26H,5-14,27H2,1-4H3/q+1.
What are the key properties of dodecyl-tris(4-methylphenyl)phosphanium?
dodecyl-tris(4-methylphenyl)phosphanium has a molecular weight of 473.71 g/mol, XLogP of 8.83, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-tris(4-methylphenyl)phosphanium is sourced from PubChem (CID 22556424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).