butylphosphanium acetate

C6H15O2P — CID 18551477

IUPACbutylphosphanium acetate
SMILESCC(=O)[O-].CCCC[PH3+]
InChIInChI=1S/C4H11P.C2H4O2/c1-2-3-4-5;1-2(3)4/h2-5H2,1H3;1H3,(H,3,4)
InChIKeyXUNCVWQATLFOFE-UHFFFAOYSA-N
MW150.16 g/mol
LogP0.15
Rot. Bonds2

About butylphosphanium acetate

butylphosphanium acetate (PubChem CID 18551477) has the molecular formula C6H15O2P and a molecular weight of 150.16 g/mol. Its IUPAC name is butylphosphanium acetate.

Molecular Properties

Compound Namebutylphosphanium acetate
PubChem CID18551477
Molecular FormulaC6H15O2P
Molecular Weight150.16 g/mol
Exact Mass150.08
IUPAC Namebutylphosphanium acetate
SMILESCC(=O)[O-].CCCC[PH3+]
InChIInChI=1S/C4H11P.C2H4O2/c1-2-3-4-5;1-2(3)4/h2-5H2,1H3;1H3,(H,3,4)
InChIKeyXUNCVWQATLFOFE-UHFFFAOYSA-N
XLogP0.15
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 50.15
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

butylphosphanium diacetate
CID 172711940
zinc;hexane;diacetate
CID 174575867
decane-1-thiol acetate
CID 22212628
sodium;octan-1-ol;acetate
CID 175533805
dodecanoate;tin(2+);acetate
CID 157367656
ethane;hexane;dicarbonate;hydrate
CID 18475207
CID 23623890
CID 23623890
octadecanoate
CID 3033836
tris(butan-1-olate);tin(4+);acetate
CID 170841293
bis(octadecanoate);platinum(2+)
CID 87233709
hexane;methanol;propan-2-one
CID 174562588
magnesium;acetic acid;octadecanoate;acetate
CID 175591716

Frequently Asked Questions

What is the IUPAC name of butylphosphanium acetate?
The IUPAC name of butylphosphanium acetate (CID 18551477) is butylphosphanium acetate.
What is the SMILES notation for butylphosphanium acetate?
The canonical SMILES for butylphosphanium acetate is CC(=O)[O-].CCCC[PH3+].
What is the InChIKey of butylphosphanium acetate?
The InChIKey is XUNCVWQATLFOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11P.C2H4O2/c1-2-3-4-5;1-2(3)4/h2-5H2,1H3;1H3,(H,3,4).
What are the key properties of butylphosphanium acetate?
butylphosphanium acetate has a molecular weight of 150.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylphosphanium acetate is sourced from PubChem (CID 18551477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).