ethoxy-oxo-[(E)-pent-3-enyl]phosphanium

C7H14O2P+ — CID 88619017

IUPACethoxy-oxo-[(E)-pent-3-enyl]phosphanium
SMILESC/C=C/CC[P+](=O)OCC
InChIInChI=1S/C7H14O2P/c1-3-5-6-7-10(8)9-4-2/h3,5H,4,6-7H2,1-2H3/q+1/b5-3+
InChIKeyAFQZNXAYLJDYFY-HWKANZROSA-N
MW161.16 g/mol
LogP2.73
Rot. Bonds5

About ethoxy-oxo-[(E)-pent-3-enyl]phosphanium

ethoxy-oxo-[(E)-pent-3-enyl]phosphanium (PubChem CID 88619017) has the molecular formula C7H14O2P+ and a molecular weight of 161.16 g/mol. Its IUPAC name is ethoxy-oxo-[(E)-pent-3-enyl]phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-[(E)-pent-3-enyl]phosphanium
PubChem CID88619017
Molecular FormulaC7H14O2P+
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameethoxy-oxo-[(E)-pent-3-enyl]phosphanium
SMILESC/C=C/CC[P+](=O)OCC
InChIInChI=1S/C7H14O2P/c1-3-5-6-7-10(8)9-4-2/h3,5H,4,6-7H2,1-2H3/q+1/b5-3+
InChIKeyAFQZNXAYLJDYFY-HWKANZROSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-pent-3-enyl]phosphanium?
The IUPAC name of ethoxy-oxo-[(E)-pent-3-enyl]phosphanium (CID 88619017) is ethoxy-oxo-[(E)-pent-3-enyl]phosphanium.
What is the SMILES notation for ethoxy-oxo-[(E)-pent-3-enyl]phosphanium?
The canonical SMILES for ethoxy-oxo-[(E)-pent-3-enyl]phosphanium is C/C=C/CC[P+](=O)OCC.
What is the InChIKey of ethoxy-oxo-[(E)-pent-3-enyl]phosphanium?
The InChIKey is AFQZNXAYLJDYFY-HWKANZROSA-N. The full InChI is InChI=1S/C7H14O2P/c1-3-5-6-7-10(8)9-4-2/h3,5H,4,6-7H2,1-2H3/q+1/b5-3+.
What are the key properties of ethoxy-oxo-[(E)-pent-3-enyl]phosphanium?
ethoxy-oxo-[(E)-pent-3-enyl]phosphanium has a molecular weight of 161.16 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-[(E)-pent-3-enyl]phosphanium is sourced from PubChem (CID 88619017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).