oxo-bis(2-oxopropoxy)phosphanium

C6H10O5P+ — CID 57191881

IUPACoxo-bis(2-oxopropoxy)phosphanium
SMILESCC(=O)CO[P+](=O)OCC(C)=O
InChIInChI=1S/C6H10O5P/c1-5(7)3-10-12(9)11-4-6(2)8/h3-4H2,1-2H3/q+1
InChIKeyGXTFVMSTWQITEY-UHFFFAOYSA-N
MW193.11 g/mol
LogP0.86
Rot. Bonds6

About oxo-bis(2-oxopropoxy)phosphanium

oxo-bis(2-oxopropoxy)phosphanium (PubChem CID 57191881) has the molecular formula C6H10O5P+ and a molecular weight of 193.11 g/mol. Its IUPAC name is oxo-bis(2-oxopropoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(2-oxopropoxy)phosphanium
PubChem CID57191881
Molecular FormulaC6H10O5P+
Molecular Weight193.11 g/mol
Exact Mass193.03
IUPAC Nameoxo-bis(2-oxopropoxy)phosphanium
SMILESCC(=O)CO[P+](=O)OCC(C)=O
InChIInChI=1S/C6H10O5P/c1-5(7)3-10-12(9)11-4-6(2)8/h3-4H2,1-2H3/q+1
InChIKeyGXTFVMSTWQITEY-UHFFFAOYSA-N
XLogP0.86
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-bis(2-oxopropoxy)phosphanium?
The IUPAC name of oxo-bis(2-oxopropoxy)phosphanium (CID 57191881) is oxo-bis(2-oxopropoxy)phosphanium.
What is the SMILES notation for oxo-bis(2-oxopropoxy)phosphanium?
The canonical SMILES for oxo-bis(2-oxopropoxy)phosphanium is CC(=O)CO[P+](=O)OCC(C)=O.
What is the InChIKey of oxo-bis(2-oxopropoxy)phosphanium?
The InChIKey is GXTFVMSTWQITEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5P/c1-5(7)3-10-12(9)11-4-6(2)8/h3-4H2,1-2H3/q+1.
What are the key properties of oxo-bis(2-oxopropoxy)phosphanium?
oxo-bis(2-oxopropoxy)phosphanium has a molecular weight of 193.11 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(2-oxopropoxy)phosphanium is sourced from PubChem (CID 57191881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).