oxo(2-oxopropyl)phosphanium

C3H6O2P+ — CID 173101153

IUPACoxo(2-oxopropyl)phosphanium
SMILESCC(=O)C[PH+]=O
InChIInChI=1S/C3H5O2P/c1-3(4)2-6-5/h2H2,1H3/p+1
InChIKeyGDUMRIHVDBMAND-UHFFFAOYSA-O
MW105.05 g/mol
LogP0.60
Rot. Bonds2

About oxo(2-oxopropyl)phosphanium

oxo(2-oxopropyl)phosphanium (PubChem CID 173101153) has the molecular formula C3H6O2P+ and a molecular weight of 105.05 g/mol. Its IUPAC name is oxo(2-oxopropyl)phosphanium.

Molecular Properties

Compound Nameoxo(2-oxopropyl)phosphanium
PubChem CID173101153
Molecular FormulaC3H6O2P+
Molecular Weight105.05 g/mol
Exact Mass105.01
IUPAC Nameoxo(2-oxopropyl)phosphanium
SMILESCC(=O)C[PH+]=O
InChIInChI=1S/C3H5O2P/c1-3(4)2-6-5/h2H2,1H3/p+1
InChIKeyGDUMRIHVDBMAND-UHFFFAOYSA-O
XLogP0.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.05
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-deuteriobutan-2-one
CID 159540848
1-bromo-1,1-dideuteriopropan-2-one
CID 161368920
3-deuteriobutan-2-one;propane
CID 158792015
hexane-2,5-dione
CID 8035
Lithium pentane-2,4-dione
CID 86735745
propan-2-one;sulfur monoxide
CID 21387950
CID 5356914
CID 5356914
1-bromopropan-2-one;ethane
CID 171800976
1-hydroxypropan-2-one;octahydrate
CID 173282716
CID 15855332
CID 15855332
CID 159548628
CID 159548628
CID 174537028
CID 174537028

Frequently Asked Questions

What is the IUPAC name of oxo(2-oxopropyl)phosphanium?
The IUPAC name of oxo(2-oxopropyl)phosphanium (CID 173101153) is oxo(2-oxopropyl)phosphanium.
What is the SMILES notation for oxo(2-oxopropyl)phosphanium?
The canonical SMILES for oxo(2-oxopropyl)phosphanium is CC(=O)C[PH+]=O.
What is the InChIKey of oxo(2-oxopropyl)phosphanium?
The InChIKey is GDUMRIHVDBMAND-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5O2P/c1-3(4)2-6-5/h2H2,1H3/p+1.
What are the key properties of oxo(2-oxopropyl)phosphanium?
oxo(2-oxopropyl)phosphanium has a molecular weight of 105.05 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(2-oxopropyl)phosphanium is sourced from PubChem (CID 173101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).