ethoxy-oxo-(3-oxobutan-2-yl)phosphanium

C6H12O3P+ — CID 130464025

IUPACethoxy-oxo-(3-oxobutan-2-yl)phosphanium
SMILESCCO[P+](=O)C(C)C(C)=O
InChIInChI=1S/C6H12O3P/c1-4-9-10(8)6(3)5(2)7/h6H,4H2,1-3H3/q+1
InChIKeyOLZNNYHHJGGDER-UHFFFAOYSA-N
MW163.13 g/mol
LogP1.74
Rot. Bonds4

About ethoxy-oxo-(3-oxobutan-2-yl)phosphanium

ethoxy-oxo-(3-oxobutan-2-yl)phosphanium (PubChem CID 130464025) has the molecular formula C6H12O3P+ and a molecular weight of 163.13 g/mol. Its IUPAC name is ethoxy-oxo-(3-oxobutan-2-yl)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(3-oxobutan-2-yl)phosphanium
PubChem CID130464025
Molecular FormulaC6H12O3P+
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Nameethoxy-oxo-(3-oxobutan-2-yl)phosphanium
SMILESCCO[P+](=O)C(C)C(C)=O
InChIInChI=1S/C6H12O3P/c1-4-9-10(8)6(3)5(2)7/h6H,4H2,1-3H3/q+1
InChIKeyOLZNNYHHJGGDER-UHFFFAOYSA-N
XLogP1.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 51.74
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-(2-fluoro-3-oxobutyl)-oxophosphanium
CID 130464055
CID 158506606
CID 158506606
(1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium
CID 130464338
ethoxy-oxo-(2-oxopropyl)phosphanium
CID 90454879
lithium;ethoxy-methoxycarbonyloxy-oxophosphanium;hydride
CID 175403249
ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium
CID 88935537
CID 6368648
CID 6368648
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
1-cyanopropyl-ethoxy-oxophosphanium
CID 130464298
ethoxy-oxo-(propan-2-ylamino)phosphanium
CID 131710025

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(3-oxobutan-2-yl)phosphanium?
The IUPAC name of ethoxy-oxo-(3-oxobutan-2-yl)phosphanium (CID 130464025) is ethoxy-oxo-(3-oxobutan-2-yl)phosphanium.
What is the SMILES notation for ethoxy-oxo-(3-oxobutan-2-yl)phosphanium?
The canonical SMILES for ethoxy-oxo-(3-oxobutan-2-yl)phosphanium is CCO[P+](=O)C(C)C(C)=O.
What is the InChIKey of ethoxy-oxo-(3-oxobutan-2-yl)phosphanium?
The InChIKey is OLZNNYHHJGGDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3P/c1-4-9-10(8)6(3)5(2)7/h6H,4H2,1-3H3/q+1.
What are the key properties of ethoxy-oxo-(3-oxobutan-2-yl)phosphanium?
ethoxy-oxo-(3-oxobutan-2-yl)phosphanium has a molecular weight of 163.13 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(3-oxobutan-2-yl)phosphanium is sourced from PubChem (CID 130464025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).