ethenoxy-ethenyl-oxophosphanium

C4H6O2P+ — CID 87812933

IUPACethenoxy-ethenyl-oxophosphanium
SMILESC=CO[P+](=O)C=C
InChIInChI=1S/C4H6O2P/c1-3-6-7(5)4-2/h3-4H,1-2H2/q+1
InChIKeyVYYXSRCTGLDGQM-UHFFFAOYSA-N
MW117.06 g/mol
LogP2.03
Rot. Bonds3

About ethenoxy-ethenyl-oxophosphanium

ethenoxy-ethenyl-oxophosphanium (PubChem CID 87812933) has the molecular formula C4H6O2P+ and a molecular weight of 117.06 g/mol. Its IUPAC name is ethenoxy-ethenyl-oxophosphanium.

Molecular Properties

Compound Nameethenoxy-ethenyl-oxophosphanium
PubChem CID87812933
Molecular FormulaC4H6O2P+
Molecular Weight117.06 g/mol
Exact Mass117.01
IUPAC Nameethenoxy-ethenyl-oxophosphanium
SMILESC=CO[P+](=O)C=C
InChIInChI=1S/C4H6O2P/c1-3-6-7(5)4-2/h3-4H,1-2H2/q+1
InChIKeyVYYXSRCTGLDGQM-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.06
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxy-ethenyl-oxophosphanium?
The IUPAC name of ethenoxy-ethenyl-oxophosphanium (CID 87812933) is ethenoxy-ethenyl-oxophosphanium.
What is the SMILES notation for ethenoxy-ethenyl-oxophosphanium?
The canonical SMILES for ethenoxy-ethenyl-oxophosphanium is C=CO[P+](=O)C=C.
What is the InChIKey of ethenoxy-ethenyl-oxophosphanium?
The InChIKey is VYYXSRCTGLDGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2P/c1-3-6-7(5)4-2/h3-4H,1-2H2/q+1.
What are the key properties of ethenoxy-ethenyl-oxophosphanium?
ethenoxy-ethenyl-oxophosphanium has a molecular weight of 117.06 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxy-ethenyl-oxophosphanium is sourced from PubChem (CID 87812933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).