acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate

C26H34O6P2 — CID 173397747

IUPACacetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P
InChIInChI=1S/C20H20P.3C2H4O2.H3P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;3*1-2(3)4;/h3-17H,2H2,1H3;3*1H3,(H,3,4);1H3/q+1;;;;/p-1
InChIKeyKJSQREFKECMIFM-UHFFFAOYSA-M
MW504.50 g/mol
LogP3.00
Rot. Bonds4

About acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate

acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate (PubChem CID 173397747) has the molecular formula C26H34O6P2 and a molecular weight of 504.50 g/mol. Its IUPAC name is acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate.

Molecular Properties

Compound Nameacetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
PubChem CID173397747
Molecular FormulaC26H34O6P2
Molecular Weight504.50 g/mol
Exact Mass504.18
IUPAC Nameacetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P
InChIInChI=1S/C20H20P.3C2H4O2.H3P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;3*1-2(3)4;/h3-17H,2H2,1H3;3*1H3,(H,3,4);1H3/q+1;;;;/p-1
InChIKeyKJSQREFKECMIFM-UHFFFAOYSA-M
XLogP3.00
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
CID 174900337
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
CID 172998208
CID 172998208
(4-acetyloxyphenyl)-ethyl-diphenylphosphanium
CID 129074306
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810
bis(2-(dimethylamino)ethyl-triphenylphosphanium) diacetate
CID 173362420
(3-amino-3-oxopropyl)-triphenylphosphanium acetate
CID 139243684
ethyl(triphenyl)phosphanium;trifluorocopper(1-)
CID 19429065
bromoethane;ethyl(triphenyl)phosphanium;bromide
CID 174716559
ethyl(triphenyl)phosphanium hexafluorophosphate
CID 22677091
diiodonickel;ethyl(triphenyl)phosphanium
CID 160550890

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate?
The IUPAC name of acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate (CID 173397747) is acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate.
What is the SMILES notation for acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate?
The canonical SMILES for acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate is CC(=O)O.CC(=O)O.CC(=O)[O-].CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P.
What is the InChIKey of acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate?
The InChIKey is KJSQREFKECMIFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20P.3C2H4O2.H3P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;3*1-2(3)4;/h3-17H,2H2,1H3;3*1H3,(H,3,4);1H3/q+1;;;;/p-1.
What are the key properties of acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate?
acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate has a molecular weight of 504.50 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate is sourced from PubChem (CID 173397747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).