acetyl-ethoxy-oxophosphanium

C4H8O3P+ — CID 87455010

IUPACacetyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(C)=O
InChIInChI=1S/C4H8O3P/c1-3-7-8(6)4(2)5/h3H2,1-2H3/q+1
InChIKeyIYKAHNBRAZHKFE-UHFFFAOYSA-N
MW135.08 g/mol
LogP1.31
Rot. Bonds3

About acetyl-ethoxy-oxophosphanium

acetyl-ethoxy-oxophosphanium (PubChem CID 87455010) has the molecular formula C4H8O3P+ and a molecular weight of 135.08 g/mol. Its IUPAC name is acetyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Nameacetyl-ethoxy-oxophosphanium
PubChem CID87455010
Molecular FormulaC4H8O3P+
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Nameacetyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(C)=O
InChIInChI=1S/C4H8O3P/c1-3-7-8(6)4(2)5/h3H2,1-2H3/q+1
InChIKeyIYKAHNBRAZHKFE-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.08
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carboxyprop-1-enyl-ethoxy-oxophosphanium
CID 174433307
ethoxy-oxo-(2-oxopropyl)phosphanium
CID 90454879
ethoxy-oxo-(3-oxobutan-2-yl)phosphanium
CID 130464025
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
CID 6368648
CID 6368648
sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium
CID 130463737
CID 157268042
CID 157268042
ethoxy-hydroperoxy-oxophosphanium
CID 87891677
ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid
CID 175582823
ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium
CID 130464055
sodium;diethoxy(oxo)phosphanium;hydride
CID 173097047

Frequently Asked Questions

What is the IUPAC name of acetyl-ethoxy-oxophosphanium?
The IUPAC name of acetyl-ethoxy-oxophosphanium (CID 87455010) is acetyl-ethoxy-oxophosphanium.
What is the SMILES notation for acetyl-ethoxy-oxophosphanium?
The canonical SMILES for acetyl-ethoxy-oxophosphanium is CCO[P+](=O)C(C)=O.
What is the InChIKey of acetyl-ethoxy-oxophosphanium?
The InChIKey is IYKAHNBRAZHKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3P/c1-3-7-8(6)4(2)5/h3H2,1-2H3/q+1.
What are the key properties of acetyl-ethoxy-oxophosphanium?
acetyl-ethoxy-oxophosphanium has a molecular weight of 135.08 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-ethoxy-oxophosphanium is sourced from PubChem (CID 87455010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).