methoxy-oxo-prop-1-enylphosphanium

C4H8O2P+ — CID 53436966

IUPACmethoxy-oxo-prop-1-enylphosphanium
SMILESCC=C[P+](=O)OC
InChIInChI=1S/C4H8O2P/c1-3-4-7(5)6-2/h3-4H,1-2H3/q+1
InChIKeySHRXIVYDMSRWQS-UHFFFAOYSA-N
MW119.08 g/mol
LogP1.91
Rot. Bonds2

About methoxy-oxo-prop-1-enylphosphanium

methoxy-oxo-prop-1-enylphosphanium (PubChem CID 53436966) has the molecular formula C4H8O2P+ and a molecular weight of 119.08 g/mol. Its IUPAC name is methoxy-oxo-prop-1-enylphosphanium.

Molecular Properties

Compound Namemethoxy-oxo-prop-1-enylphosphanium
PubChem CID53436966
Molecular FormulaC4H8O2P+
Molecular Weight119.08 g/mol
Exact Mass119.03
IUPAC Namemethoxy-oxo-prop-1-enylphosphanium
SMILESCC=C[P+](=O)OC
InChIInChI=1S/C4H8O2P/c1-3-4-7(5)6-2/h3-4H,1-2H3/q+1
InChIKeySHRXIVYDMSRWQS-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-prop-1-enylphosphanium?
The IUPAC name of methoxy-oxo-prop-1-enylphosphanium (CID 53436966) is methoxy-oxo-prop-1-enylphosphanium.
What is the SMILES notation for methoxy-oxo-prop-1-enylphosphanium?
The canonical SMILES for methoxy-oxo-prop-1-enylphosphanium is CC=C[P+](=O)OC.
What is the InChIKey of methoxy-oxo-prop-1-enylphosphanium?
The InChIKey is SHRXIVYDMSRWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2P/c1-3-4-7(5)6-2/h3-4H,1-2H3/q+1.
What are the key properties of methoxy-oxo-prop-1-enylphosphanium?
methoxy-oxo-prop-1-enylphosphanium has a molecular weight of 119.08 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-prop-1-enylphosphanium is sourced from PubChem (CID 53436966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).