oxo-bis(prop-2-enoxy)phosphanium

C6H10O3P+ — CID 6327420

IUPACoxo-bis(prop-2-enoxy)phosphanium
SMILESC=CCO[P+](=O)OCC=C
InChIInChI=1S/C6H10O3P/c1-3-5-8-10(7)9-6-4-2/h3-4H,1-2,5-6H2/q+1
InChIKeyABTNKPAZMOYEAS-UHFFFAOYSA-N
MW161.12 g/mol
LogP2.05
Rot. Bonds6

About oxo-bis(prop-2-enoxy)phosphanium

oxo-bis(prop-2-enoxy)phosphanium (PubChem CID 6327420) has the molecular formula C6H10O3P+ and a molecular weight of 161.12 g/mol. Its IUPAC name is oxo-bis(prop-2-enoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(prop-2-enoxy)phosphanium
PubChem CID6327420
Molecular FormulaC6H10O3P+
Molecular Weight161.12 g/mol
Exact Mass161.04
IUPAC Nameoxo-bis(prop-2-enoxy)phosphanium
SMILESC=CCO[P+](=O)OCC=C
InChIInChI=1S/C6H10O3P/c1-3-5-8-10(7)9-6-4-2/h3-4H,1-2,5-6H2/q+1
InChIKeyABTNKPAZMOYEAS-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 52.05
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 oxo-bis(prop-2-enoxy)phosphanium?
The IUPAC name of oxo-bis(prop-2-enoxy)phosphanium (CID 6327420) is oxo-bis(prop-2-enoxy)phosphanium.
What is the SMILES notation for oxo-bis(prop-2-enoxy)phosphanium?
The canonical SMILES for oxo-bis(prop-2-enoxy)phosphanium is C=CCO[P+](=O)OCC=C.
What is the InChIKey of oxo-bis(prop-2-enoxy)phosphanium?
The InChIKey is ABTNKPAZMOYEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3P/c1-3-5-8-10(7)9-6-4-2/h3-4H,1-2,5-6H2/q+1.
What are the key properties of oxo-bis(prop-2-enoxy)phosphanium?
oxo-bis(prop-2-enoxy)phosphanium has a molecular weight of 161.12 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(prop-2-enoxy)phosphanium is sourced from PubChem (CID 6327420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).