dibutyl(diphenyl)phosphanium acetate

C22H31O2P — CID 175126933

IUPACdibutyl(diphenyl)phosphanium acetate
SMILESCC(=O)[O-].CCCC[P+](CCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28P.C2H4O2/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20;1-2(3)4/h7-16H,3-6,17-18H2,1-2H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyVNZQXMZTTNRRNN-UHFFFAOYSA-M
MW358.46 g/mol
LogP4.01
Rot. Bonds8

About dibutyl(diphenyl)phosphanium acetate

dibutyl(diphenyl)phosphanium acetate (PubChem CID 175126933) has the molecular formula C22H31O2P and a molecular weight of 358.46 g/mol. Its IUPAC name is dibutyl(diphenyl)phosphanium acetate.

Molecular Properties

Compound Namedibutyl(diphenyl)phosphanium acetate
PubChem CID175126933
Molecular FormulaC22H31O2P
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Namedibutyl(diphenyl)phosphanium acetate
SMILESCC(=O)[O-].CCCC[P+](CCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28P.C2H4O2/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20;1-2(3)4/h7-16H,3-6,17-18H2,1-2H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyVNZQXMZTTNRRNN-UHFFFAOYSA-M
XLogP4.01
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
butyl-(4,4-dimethylpentyl)-diphenylphosphanium
CID 58520425
phosphanium;acetic acid;tetrabutylphosphanium;diacetate
CID 159655979
diphenyl(dipropyl)phosphanium chloride
CID 69307646
(4-butoxyphenyl)methyl-triphenylphosphanium acetate
CID 87191199
calcium bis(14-phenyloctadecanoate)
CID 101320116
acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
CID 173397747
butanoate;tetraphenylphosphanium
CID 146567473
hydrogen carbonate;bis(tetrabutylphosphanium)
CID 139200490
diphenylstibane;2-ethylhexanoate
CID 20835772
butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium
CID 175852086

Frequently Asked Questions

What is the IUPAC name of dibutyl(diphenyl)phosphanium acetate?
The IUPAC name of dibutyl(diphenyl)phosphanium acetate (CID 175126933) is dibutyl(diphenyl)phosphanium acetate.
What is the SMILES notation for dibutyl(diphenyl)phosphanium acetate?
The canonical SMILES for dibutyl(diphenyl)phosphanium acetate is CC(=O)[O-].CCCC[P+](CCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of dibutyl(diphenyl)phosphanium acetate?
The InChIKey is VNZQXMZTTNRRNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H28P.C2H4O2/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20;1-2(3)4/h7-16H,3-6,17-18H2,1-2H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of dibutyl(diphenyl)phosphanium acetate?
dibutyl(diphenyl)phosphanium acetate has a molecular weight of 358.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(diphenyl)phosphanium acetate is sourced from PubChem (CID 175126933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).