ethoxy-oxo-(2-oxopropyl)phosphanium

C5H10O3P+ — CID 90454879

IUPACethoxy-oxo-(2-oxopropyl)phosphanium
SMILESCCO[P+](=O)CC(C)=O
InChIInChI=1S/C5H10O3P/c1-3-8-9(7)4-5(2)6/h3-4H2,1-2H3/q+1
InChIKeyXHGMRZWWOQYQKS-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.35
Rot. Bonds4

About ethoxy-oxo-(2-oxopropyl)phosphanium

ethoxy-oxo-(2-oxopropyl)phosphanium (PubChem CID 90454879) has the molecular formula C5H10O3P+ and a molecular weight of 149.11 g/mol. Its IUPAC name is ethoxy-oxo-(2-oxopropyl)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(2-oxopropyl)phosphanium
PubChem CID90454879
Molecular FormulaC5H10O3P+
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Nameethoxy-oxo-(2-oxopropyl)phosphanium
SMILESCCO[P+](=O)CC(C)=O
InChIInChI=1S/C5H10O3P/c1-3-8-9(7)4-5(2)6/h3-4H2,1-2H3/q+1
InChIKeyXHGMRZWWOQYQKS-UHFFFAOYSA-N
XLogP1.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.35
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

acetyl-ethoxy-oxophosphanium
CID 87455010
ethoxy-oxo-phenacylphosphanium
CID 174673134
ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium
CID 130464055
ethoxy-oxo-(3-oxobutan-2-yl)phosphanium
CID 130464025
CID 6368648
CID 6368648
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
CID 157268042
CID 157268042
ethoxy-hydroperoxy-oxophosphanium
CID 87891677
(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium
CID 57088772
ethoxy-octyl-oxophosphanium
CID 14512429
ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid
CID 175582823

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(2-oxopropyl)phosphanium?
The IUPAC name of ethoxy-oxo-(2-oxopropyl)phosphanium (CID 90454879) is ethoxy-oxo-(2-oxopropyl)phosphanium.
What is the SMILES notation for ethoxy-oxo-(2-oxopropyl)phosphanium?
The canonical SMILES for ethoxy-oxo-(2-oxopropyl)phosphanium is CCO[P+](=O)CC(C)=O.
What is the InChIKey of ethoxy-oxo-(2-oxopropyl)phosphanium?
The InChIKey is XHGMRZWWOQYQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3P/c1-3-8-9(7)4-5(2)6/h3-4H2,1-2H3/q+1.
What are the key properties of ethoxy-oxo-(2-oxopropyl)phosphanium?
ethoxy-oxo-(2-oxopropyl)phosphanium has a molecular weight of 149.11 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(2-oxopropyl)phosphanium is sourced from PubChem (CID 90454879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).