dodecyl(triphenyl)phosphanium iodide

C30H40IP — CID 22245251

IUPACdodecyl(triphenyl)phosphanium iodide
SMILESCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C30H40P.HI/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1
InChIKeyILXYOJNSZDHABS-UHFFFAOYSA-M
MW558.53 g/mol
LogP4.91
Rot. Bonds14

About dodecyl(triphenyl)phosphanium iodide

dodecyl(triphenyl)phosphanium iodide (PubChem CID 22245251) has the molecular formula C30H40IP and a molecular weight of 558.53 g/mol. Its IUPAC name is dodecyl(triphenyl)phosphanium iodide.

Molecular Properties

Compound Namedodecyl(triphenyl)phosphanium iodide
PubChem CID22245251
Molecular FormulaC30H40IP
Molecular Weight558.53 g/mol
Exact Mass558.19
IUPAC Namedodecyl(triphenyl)phosphanium iodide
SMILESCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C30H40P.HI/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1
InChIKeyILXYOJNSZDHABS-UHFFFAOYSA-M
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hexyl(triphenyl)phosphanium
CID 2724570
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496

Frequently Asked Questions

What is the IUPAC name of dodecyl(triphenyl)phosphanium iodide?
The IUPAC name of dodecyl(triphenyl)phosphanium iodide (CID 22245251) is dodecyl(triphenyl)phosphanium iodide.
What is the SMILES notation for dodecyl(triphenyl)phosphanium iodide?
The canonical SMILES for dodecyl(triphenyl)phosphanium iodide is CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of dodecyl(triphenyl)phosphanium iodide?
The InChIKey is ILXYOJNSZDHABS-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H40P.HI/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1.
What are the key properties of dodecyl(triphenyl)phosphanium iodide?
dodecyl(triphenyl)phosphanium iodide has a molecular weight of 558.53 g/mol, XLogP of 4.91, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(triphenyl)phosphanium iodide is sourced from PubChem (CID 22245251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).