bis(but-2-enoxy)-oxophosphanium

C8H14O3P+ — CID 57230966

IUPACbis(but-2-enoxy)-oxophosphanium
SMILESCC=CCO[P+](=O)OCC=CC
InChIInChI=1S/C8H14O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-6H,7-8H2,1-2H3/q+1
InChIKeyYRNIRSCBHHMURE-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.83
Rot. Bonds6

About bis(but-2-enoxy)-oxophosphanium

bis(but-2-enoxy)-oxophosphanium (PubChem CID 57230966) has the molecular formula C8H14O3P+ and a molecular weight of 189.17 g/mol. Its IUPAC name is bis(but-2-enoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(but-2-enoxy)-oxophosphanium
PubChem CID57230966
Molecular FormulaC8H14O3P+
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Namebis(but-2-enoxy)-oxophosphanium
SMILESCC=CCO[P+](=O)OCC=CC
InChIInChI=1S/C8H14O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-6H,7-8H2,1-2H3/q+1
InChIKeyYRNIRSCBHHMURE-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(but-2-enoxy)-oxophosphanium?
The IUPAC name of bis(but-2-enoxy)-oxophosphanium (CID 57230966) is bis(but-2-enoxy)-oxophosphanium.
What is the SMILES notation for bis(but-2-enoxy)-oxophosphanium?
The canonical SMILES for bis(but-2-enoxy)-oxophosphanium is CC=CCO[P+](=O)OCC=CC.
What is the InChIKey of bis(but-2-enoxy)-oxophosphanium?
The InChIKey is YRNIRSCBHHMURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-6H,7-8H2,1-2H3/q+1.
What are the key properties of bis(but-2-enoxy)-oxophosphanium?
bis(but-2-enoxy)-oxophosphanium has a molecular weight of 189.17 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-2-enoxy)-oxophosphanium is sourced from PubChem (CID 57230966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).