ethoxy-oxo-pent-4-en-2-yloxyphosphanium

C7H14O3P+ — CID 88686747

IUPACethoxy-oxo-pent-4-en-2-yloxyphosphanium
SMILESC=CCC(C)O[P+](=O)OCC
InChIInChI=1S/C7H14O3P/c1-4-6-7(3)10-11(8)9-5-2/h4,7H,1,5-6H2,2-3H3/q+1
InChIKeySOTXPJZQXHEUPY-UHFFFAOYSA-N
MW177.16 g/mol
LogP2.66
Rot. Bonds6

About ethoxy-oxo-pent-4-en-2-yloxyphosphanium

ethoxy-oxo-pent-4-en-2-yloxyphosphanium (PubChem CID 88686747) has the molecular formula C7H14O3P+ and a molecular weight of 177.16 g/mol. Its IUPAC name is ethoxy-oxo-pent-4-en-2-yloxyphosphanium.

Molecular Properties

Compound Nameethoxy-oxo-pent-4-en-2-yloxyphosphanium
PubChem CID88686747
Molecular FormulaC7H14O3P+
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Nameethoxy-oxo-pent-4-en-2-yloxyphosphanium
SMILESC=CCC(C)O[P+](=O)OCC
InChIInChI=1S/C7H14O3P/c1-4-6-7(3)10-11(8)9-5-2/h4,7H,1,5-6H2,2-3H3/q+1
InChIKeySOTXPJZQXHEUPY-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 52.66
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 ethoxy-oxo-pent-4-en-2-yloxyphosphanium?
The IUPAC name of ethoxy-oxo-pent-4-en-2-yloxyphosphanium (CID 88686747) is ethoxy-oxo-pent-4-en-2-yloxyphosphanium.
What is the SMILES notation for ethoxy-oxo-pent-4-en-2-yloxyphosphanium?
The canonical SMILES for ethoxy-oxo-pent-4-en-2-yloxyphosphanium is C=CCC(C)O[P+](=O)OCC.
What is the InChIKey of ethoxy-oxo-pent-4-en-2-yloxyphosphanium?
The InChIKey is SOTXPJZQXHEUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3P/c1-4-6-7(3)10-11(8)9-5-2/h4,7H,1,5-6H2,2-3H3/q+1.
What are the key properties of ethoxy-oxo-pent-4-en-2-yloxyphosphanium?
ethoxy-oxo-pent-4-en-2-yloxyphosphanium has a molecular weight of 177.16 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-pent-4-en-2-yloxyphosphanium is sourced from PubChem (CID 88686747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).