triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium

C28H34OP+ — CID 134400894

IUPACtriphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium
SMILESCC(=O)C(C)(C)CC(C)(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34OP/c1-23(29)28(4,5)21-27(2,3)22-30(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20H,21-22H2,1-5H3/q+1
InChIKeyYKEDEPQFGIWIRD-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.01
Rot. Bonds8

About triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium

triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium (PubChem CID 134400894) has the molecular formula C28H34OP+ and a molecular weight of 417.55 g/mol. Its IUPAC name is triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium.

Molecular Properties

Compound Nametriphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium
PubChem CID134400894
Molecular FormulaC28H34OP+
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Nametriphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium
SMILESCC(=O)C(C)(C)CC(C)(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34OP/c1-23(29)28(4,5)21-27(2,3)22-30(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20H,21-22H2,1-5H3/q+1
InChIKeyYKEDEPQFGIWIRD-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
CID 101168782
(4-carboxy-3,3,4-trimethylpentyl)-triphenylphosphanium
CID 59411838
3,3-dimethylpentan-2-one;triphenylphosphane
CID 90841990
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide
CID 19850748
acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
CID 173397747
(4-acetyloxyphenyl)-ethyl-diphenylphosphanium
CID 129074306
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
chlorobenzene;3,3-dimethyl-4-sulfanylbutan-2-one
CID 19864092
(4-acetyloxyphenyl)methyl-triphenylphosphanium
CID 71340260
9-acetyloxynonyl(triphenyl)phosphanium bromide
CID 11092632

Frequently Asked Questions

What is the IUPAC name of triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium?
The IUPAC name of triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium (CID 134400894) is triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium.
What is the SMILES notation for triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium?
The canonical SMILES for triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium is CC(=O)C(C)(C)CC(C)(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium?
The InChIKey is YKEDEPQFGIWIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34OP/c1-23(29)28(4,5)21-27(2,3)22-30(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20H,21-22H2,1-5H3/q+1.
What are the key properties of triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium?
triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium has a molecular weight of 417.55 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium is sourced from PubChem (CID 134400894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).