methyl-oxo-(2-oxopropoxy)phosphanium

C4H8O3P+ — CID 21337596

IUPACmethyl-oxo-(2-oxopropoxy)phosphanium
SMILESCC(=O)CO[P+](C)=O
InChIInChI=1S/C4H8O3P/c1-4(5)3-7-8(2)6/h3H2,1-2H3/q+1
InChIKeyKAKSDDXKIIKLTE-UHFFFAOYSA-N
MW135.08 g/mol
LogP0.96
Rot. Bonds3

About methyl-oxo-(2-oxopropoxy)phosphanium

methyl-oxo-(2-oxopropoxy)phosphanium (PubChem CID 21337596) has the molecular formula C4H8O3P+ and a molecular weight of 135.08 g/mol. Its IUPAC name is methyl-oxo-(2-oxopropoxy)phosphanium.

Molecular Properties

Compound Namemethyl-oxo-(2-oxopropoxy)phosphanium
PubChem CID21337596
Molecular FormulaC4H8O3P+
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Namemethyl-oxo-(2-oxopropoxy)phosphanium
SMILESCC(=O)CO[P+](C)=O
InChIInChI=1S/C4H8O3P/c1-4(5)3-7-8(2)6/h3H2,1-2H3/q+1
InChIKeyKAKSDDXKIIKLTE-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-oxo-(2-oxopropoxy)phosphanium?
The IUPAC name of methyl-oxo-(2-oxopropoxy)phosphanium (CID 21337596) is methyl-oxo-(2-oxopropoxy)phosphanium.
What is the SMILES notation for methyl-oxo-(2-oxopropoxy)phosphanium?
The canonical SMILES for methyl-oxo-(2-oxopropoxy)phosphanium is CC(=O)CO[P+](C)=O.
What is the InChIKey of methyl-oxo-(2-oxopropoxy)phosphanium?
The InChIKey is KAKSDDXKIIKLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3P/c1-4(5)3-7-8(2)6/h3H2,1-2H3/q+1.
What are the key properties of methyl-oxo-(2-oxopropoxy)phosphanium?
methyl-oxo-(2-oxopropoxy)phosphanium has a molecular weight of 135.08 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-(2-oxopropoxy)phosphanium is sourced from PubChem (CID 21337596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).