tert-butyl-ethyl-diphenylphosphanium

C18H24P+ — CID 23415407

IUPACtert-butyl-ethyl-diphenylphosphanium
SMILESCC[P+](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H24P/c1-5-19(18(2,3)4,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,5H2,1-4H3/q+1
InChIKeyKPPHDGHKWPWIQB-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.47
Rot. Bonds3

About tert-butyl-ethyl-diphenylphosphanium

tert-butyl-ethyl-diphenylphosphanium (PubChem CID 23415407) has the molecular formula C18H24P+ and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl-ethyl-diphenylphosphanium.

Molecular Properties

Compound Nametert-butyl-ethyl-diphenylphosphanium
PubChem CID23415407
Molecular FormulaC18H24P+
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Nametert-butyl-ethyl-diphenylphosphanium
SMILESCC[P+](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H24P/c1-5-19(18(2,3)4,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,5H2,1-4H3/q+1
InChIKeyKPPHDGHKWPWIQB-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethyl(diphenyl)phosphanium hydroxide
CID 18407746
triethyl(phenyl)phosphanium chloride
CID 21464749
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
chloro-ethyl-diphenylphosphanium
CID 15830242
CID 172998208
CID 172998208
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
1-bromopropyl(triphenyl)phosphanium
CID 22011137
[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
CID 101168782
tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
CID 88849598
CID 88849598
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810
ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
CID 174900337

Frequently Asked Questions

What is the IUPAC name of tert-butyl-ethyl-diphenylphosphanium?
The IUPAC name of tert-butyl-ethyl-diphenylphosphanium (CID 23415407) is tert-butyl-ethyl-diphenylphosphanium.
What is the SMILES notation for tert-butyl-ethyl-diphenylphosphanium?
The canonical SMILES for tert-butyl-ethyl-diphenylphosphanium is CC[P+](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-ethyl-diphenylphosphanium?
The InChIKey is KPPHDGHKWPWIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24P/c1-5-19(18(2,3)4,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,5H2,1-4H3/q+1.
What are the key properties of tert-butyl-ethyl-diphenylphosphanium?
tert-butyl-ethyl-diphenylphosphanium has a molecular weight of 271.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethyl-diphenylphosphanium is sourced from PubChem (CID 23415407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).