acetic acid;diethyl(oxo)phosphanium

C6H14O3P+ — CID 175760188

IUPACacetic acid;diethyl(oxo)phosphanium
SMILESCC(=O)O.CC[P+](=O)CC
InChIInChI=1S/C4H10OP.C2H4O2/c1-3-6(5)4-2;1-2(3)4/h3-4H2,1-2H3;1H3,(H,3,4)/q+1;
InChIKeyHBWQUHFXBPHDIK-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.94
Rot. Bonds2

About acetic acid;diethyl(oxo)phosphanium

acetic acid;diethyl(oxo)phosphanium (PubChem CID 175760188) has the molecular formula C6H14O3P+ and a molecular weight of 165.15 g/mol. Its IUPAC name is acetic acid;diethyl(oxo)phosphanium.

Molecular Properties

Compound Nameacetic acid;diethyl(oxo)phosphanium
PubChem CID175760188
Molecular FormulaC6H14O3P+
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Nameacetic acid;diethyl(oxo)phosphanium
SMILESCC(=O)O.CC[P+](=O)CC
InChIInChI=1S/C4H10OP.C2H4O2/c1-3-6(5)4-2;1-2(3)4/h3-4H2,1-2H3;1H3,(H,3,4)/q+1;
InChIKeyHBWQUHFXBPHDIK-UHFFFAOYSA-N
XLogP1.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;azane;propane
CID 173127482
acetic acid
CID 158444727
acetic acid;ethylsilane
CID 174971257
acetic acid;phosphonous acid
CID 87496831
acetic acid;cobalt;propanoic acid
CID 173406712
acetic acid;palladium
CID 58759193
acetic acid;methanol
CID 173388753
acetic acid;stibane
CID 173054099
acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;azane
CID 173340275

Frequently Asked Questions

What is the IUPAC name of acetic acid;diethyl(oxo)phosphanium?
The IUPAC name of acetic acid;diethyl(oxo)phosphanium (CID 175760188) is acetic acid;diethyl(oxo)phosphanium.
What is the SMILES notation for acetic acid;diethyl(oxo)phosphanium?
The canonical SMILES for acetic acid;diethyl(oxo)phosphanium is CC(=O)O.CC[P+](=O)CC.
What is the InChIKey of acetic acid;diethyl(oxo)phosphanium?
The InChIKey is HBWQUHFXBPHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OP.C2H4O2/c1-3-6(5)4-2;1-2(3)4/h3-4H2,1-2H3;1H3,(H,3,4)/q+1;.
What are the key properties of acetic acid;diethyl(oxo)phosphanium?
acetic acid;diethyl(oxo)phosphanium has a molecular weight of 165.15 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;diethyl(oxo)phosphanium is sourced from PubChem (CID 175760188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).