butyl(triphenyl)phosphanium acetate

C24H27O2P — CID 18356071

IUPACbutyl(triphenyl)phosphanium acetate
SMILESCC(=O)[O-].CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24P.C2H4O2/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-2(3)4/h4-18H,2-3,19H2,1H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyMKZASADXUFZOHO-UHFFFAOYSA-M
MW378.45 g/mol
LogP3.54
Rot. Bonds6

About butyl(triphenyl)phosphanium acetate

butyl(triphenyl)phosphanium acetate (PubChem CID 18356071) has the molecular formula C24H27O2P and a molecular weight of 378.45 g/mol. Its IUPAC name is butyl(triphenyl)phosphanium acetate.

Molecular Properties

Compound Namebutyl(triphenyl)phosphanium acetate
PubChem CID18356071
Molecular FormulaC24H27O2P
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Namebutyl(triphenyl)phosphanium acetate
SMILESCC(=O)[O-].CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24P.C2H4O2/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-2(3)4/h4-18H,2-3,19H2,1H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyMKZASADXUFZOHO-UHFFFAOYSA-M
XLogP3.54
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl(triphenyl)phosphanium acetate?
The IUPAC name of butyl(triphenyl)phosphanium acetate (CID 18356071) is butyl(triphenyl)phosphanium acetate.
What is the SMILES notation for butyl(triphenyl)phosphanium acetate?
The canonical SMILES for butyl(triphenyl)phosphanium acetate is CC(=O)[O-].CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of butyl(triphenyl)phosphanium acetate?
The InChIKey is MKZASADXUFZOHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24P.C2H4O2/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-2(3)4/h4-18H,2-3,19H2,1H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of butyl(triphenyl)phosphanium acetate?
butyl(triphenyl)phosphanium acetate has a molecular weight of 378.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triphenyl)phosphanium acetate is sourced from PubChem (CID 18356071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).