pentan-2-yl(triphenyl)phosphanium iodide

C23H26IP — CID 161138332

IUPACpentan-2-yl(triphenyl)phosphanium iodide
SMILESCCCC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C23H26P.HI/c1-3-13-20(2)24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-20H,3,13H2,1-2H3;1H/q+1;/p-1
InChIKeyUNCDTOWUBXXLHM-UHFFFAOYSA-M
MW460.34 g/mol
LogP2.17
Rot. Bonds6

About pentan-2-yl(triphenyl)phosphanium iodide

pentan-2-yl(triphenyl)phosphanium iodide (PubChem CID 161138332) has the molecular formula C23H26IP and a molecular weight of 460.34 g/mol. Its IUPAC name is pentan-2-yl(triphenyl)phosphanium iodide.

Molecular Properties

Compound Namepentan-2-yl(triphenyl)phosphanium iodide
PubChem CID161138332
Molecular FormulaC23H26IP
Molecular Weight460.34 g/mol
Exact Mass460.08
IUPAC Namepentan-2-yl(triphenyl)phosphanium iodide
SMILESCCCC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C23H26P.HI/c1-3-13-20(2)24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-20H,3,13H2,1-2H3;1H/q+1;/p-1
InChIKeyUNCDTOWUBXXLHM-UHFFFAOYSA-M
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-heptan-2-yl]-triphenylphosphanium
CID 98534307
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
6-methyloctan-2-yl(triphenyl)phosphanium
CID 138474371
methyl-phenyl-dipropylphosphanium
CID 70584071
ethyl-methyl-phenyl-propylphosphanium
CID 2785204
2-triphenylphosphaniumylpentanethioate
CID 12561676
[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium
CID 139198951
1-methylidynesilylpropan-2-yl(triphenyl)phosphanium
CID 3582086
ethyl-fluoro-(2-methylpentyl)-phenylphosphanium
CID 87995992
(4-ethoxy-4-oxobutan-2-yl)-triphenylphosphanium
CID 23228193
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium
CID 11016754

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl(triphenyl)phosphanium iodide?
The IUPAC name of pentan-2-yl(triphenyl)phosphanium iodide (CID 161138332) is pentan-2-yl(triphenyl)phosphanium iodide.
What is the SMILES notation for pentan-2-yl(triphenyl)phosphanium iodide?
The canonical SMILES for pentan-2-yl(triphenyl)phosphanium iodide is CCCC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of pentan-2-yl(triphenyl)phosphanium iodide?
The InChIKey is UNCDTOWUBXXLHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H26P.HI/c1-3-13-20(2)24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-20H,3,13H2,1-2H3;1H/q+1;/p-1.
What are the key properties of pentan-2-yl(triphenyl)phosphanium iodide?
pentan-2-yl(triphenyl)phosphanium iodide has a molecular weight of 460.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl(triphenyl)phosphanium iodide is sourced from PubChem (CID 161138332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).