acetic acid;tetraethylphosphanium

C10H24O2P+ — CID 159003626

IUPACacetic acid;tetraethylphosphanium
SMILESCC(=O)O.CC[P+](CC)(CC)CC
InChIInChI=1S/C8H20P.C2H4O2/c1-5-9(6-2,7-3)8-4;1-2(3)4/h5-8H2,1-4H3;1H3,(H,3,4)/q+1;
InChIKeyJRQMGUGXUVNKFF-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.17
Rot. Bonds4

About acetic acid;tetraethylphosphanium

acetic acid;tetraethylphosphanium (PubChem CID 159003626) has the molecular formula C10H24O2P+ and a molecular weight of 207.27 g/mol. Its IUPAC name is acetic acid;tetraethylphosphanium.

Molecular Properties

Compound Nameacetic acid;tetraethylphosphanium
PubChem CID159003626
Molecular FormulaC10H24O2P+
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Nameacetic acid;tetraethylphosphanium
SMILESCC(=O)O.CC[P+](CC)(CC)CC
InChIInChI=1S/C8H20P.C2H4O2/c1-5-9(6-2,7-3)8-4;1-2(3)4/h5-8H2,1-4H3;1H3,(H,3,4)/q+1;
InChIKeyJRQMGUGXUVNKFF-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-methylbutane
CID 172862544
acetic acid;bis(butan-2-ol)
CID 139558658
(Z)-4-hydroxy-4-oxobut-2-enoate;tetraethylphosphanium
CID 88517646
acetic acid;azane;propane
CID 173127482
acetic acid;ethyl(trioctyl)phosphanium;phosphane
CID 174682784
acetic acid;2-ethylpropane-1,3-diol
CID 22936080
copper tetraethylphosphanium
CID 162135788
acetic acid
CID 158444727
acetic acid;ethylsilane
CID 174971257
acetic acid;butane-1,2-diol
CID 71357816
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
3-hydroxy-2,2-dimethyl-3-oxopropanoate;tetraethylphosphanium
CID 21290420

Frequently Asked Questions

What is the IUPAC name of acetic acid;tetraethylphosphanium?
The IUPAC name of acetic acid;tetraethylphosphanium (CID 159003626) is acetic acid;tetraethylphosphanium.
What is the SMILES notation for acetic acid;tetraethylphosphanium?
The canonical SMILES for acetic acid;tetraethylphosphanium is CC(=O)O.CC[P+](CC)(CC)CC.
What is the InChIKey of acetic acid;tetraethylphosphanium?
The InChIKey is JRQMGUGXUVNKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20P.C2H4O2/c1-5-9(6-2,7-3)8-4;1-2(3)4/h5-8H2,1-4H3;1H3,(H,3,4)/q+1;.
What are the key properties of acetic acid;tetraethylphosphanium?
acetic acid;tetraethylphosphanium has a molecular weight of 207.27 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tetraethylphosphanium is sourced from PubChem (CID 159003626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).