tert-butyl(diethyl)phosphanium acetate

C10H23O2P — CID 160622651

IUPACtert-butyl(diethyl)phosphanium acetate
SMILESCC(=O)[O-].CC[PH+](CC)C(C)(C)C
InChIInChI=1S/C8H19P.C2H4O2/c1-6-9(7-2)8(3,4)5;1-2(3)4/h6-7H2,1-5H3;1H3,(H,3,4)
InChIKeyRGWZWCHNQODKAX-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.80
Rot. Bonds2

About tert-butyl(diethyl)phosphanium acetate

tert-butyl(diethyl)phosphanium acetate (PubChem CID 160622651) has the molecular formula C10H23O2P and a molecular weight of 206.27 g/mol. Its IUPAC name is tert-butyl(diethyl)phosphanium acetate.

Molecular Properties

Compound Nametert-butyl(diethyl)phosphanium acetate
PubChem CID160622651
Molecular FormulaC10H23O2P
Molecular Weight206.27 g/mol
Exact Mass206.14
IUPAC Nametert-butyl(diethyl)phosphanium acetate
SMILESCC(=O)[O-].CC[PH+](CC)C(C)(C)C
InChIInChI=1S/C8H19P.C2H4O2/c1-6-9(7-2)8(3,4)5;1-2(3)4/h6-7H2,1-5H3;1H3,(H,3,4)
InChIKeyRGWZWCHNQODKAX-UHFFFAOYSA-N
XLogP1.80
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.80
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

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trisodium;propanoate
CID 86625665
indium(1+);propanoate
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propanoate;hydrate
CID 19032208
propanoate;tin(4+)
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propanoate;uranium(4+)
CID 51035197
propanoate;rubidium(1+)
CID 23716263
CID 57352970
CID 57352970

Frequently Asked Questions

What is the IUPAC name of tert-butyl(diethyl)phosphanium acetate?
The IUPAC name of tert-butyl(diethyl)phosphanium acetate (CID 160622651) is tert-butyl(diethyl)phosphanium acetate.
What is the SMILES notation for tert-butyl(diethyl)phosphanium acetate?
The canonical SMILES for tert-butyl(diethyl)phosphanium acetate is CC(=O)[O-].CC[PH+](CC)C(C)(C)C.
What is the InChIKey of tert-butyl(diethyl)phosphanium acetate?
The InChIKey is RGWZWCHNQODKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19P.C2H4O2/c1-6-9(7-2)8(3,4)5;1-2(3)4/h6-7H2,1-5H3;1H3,(H,3,4).
What are the key properties of tert-butyl(diethyl)phosphanium acetate?
tert-butyl(diethyl)phosphanium acetate has a molecular weight of 206.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(diethyl)phosphanium acetate is sourced from PubChem (CID 160622651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).