methoxy-oxo-(2-oxopropoxy)phosphanium

C4H8O4P+ — CID 21337595

IUPACmethoxy-oxo-(2-oxopropoxy)phosphanium
SMILESCO[P+](=O)OCC(C)=O
InChIInChI=1S/C4H8O4P/c1-4(5)3-8-9(6)7-2/h3H2,1-2H3/q+1
InChIKeyRRHXYMSCUHOULY-UHFFFAOYSA-N
MW151.08 g/mol
LogP0.90
Rot. Bonds4

About methoxy-oxo-(2-oxopropoxy)phosphanium

methoxy-oxo-(2-oxopropoxy)phosphanium (PubChem CID 21337595) has the molecular formula C4H8O4P+ and a molecular weight of 151.08 g/mol. Its IUPAC name is methoxy-oxo-(2-oxopropoxy)phosphanium.

Molecular Properties

Compound Namemethoxy-oxo-(2-oxopropoxy)phosphanium
PubChem CID21337595
Molecular FormulaC4H8O4P+
Molecular Weight151.08 g/mol
Exact Mass151.02
IUPAC Namemethoxy-oxo-(2-oxopropoxy)phosphanium
SMILESCO[P+](=O)OCC(C)=O
InChIInChI=1S/C4H8O4P/c1-4(5)3-8-9(6)7-2/h3H2,1-2H3/q+1
InChIKeyRRHXYMSCUHOULY-UHFFFAOYSA-N
XLogP0.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.08
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-(2-oxopropoxy)phosphanium?
The IUPAC name of methoxy-oxo-(2-oxopropoxy)phosphanium (CID 21337595) is methoxy-oxo-(2-oxopropoxy)phosphanium.
What is the SMILES notation for methoxy-oxo-(2-oxopropoxy)phosphanium?
The canonical SMILES for methoxy-oxo-(2-oxopropoxy)phosphanium is CO[P+](=O)OCC(C)=O.
What is the InChIKey of methoxy-oxo-(2-oxopropoxy)phosphanium?
The InChIKey is RRHXYMSCUHOULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4P/c1-4(5)3-8-9(6)7-2/h3H2,1-2H3/q+1.
What are the key properties of methoxy-oxo-(2-oxopropoxy)phosphanium?
methoxy-oxo-(2-oxopropoxy)phosphanium has a molecular weight of 151.08 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(2-oxopropoxy)phosphanium is sourced from PubChem (CID 21337595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).