2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium

C10H18O4P+ — CID 20718591

IUPAC2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium
SMILESC=CCC(C=C)CO[P+](=O)OOCCC
InChIInChI=1S/C10H18O4P/c1-4-7-10(6-3)9-13-15(11)14-12-8-5-2/h4,6,10H,1,3,5,7-9H2,2H3/q+1
InChIKeyXLKPCFCBKXGNJB-UHFFFAOYSA-N
MW233.22 g/mol
LogP3.40
Rot. Bonds10

About 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium

2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium (PubChem CID 20718591) has the molecular formula C10H18O4P+ and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium.

Molecular Properties

Compound Name2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium
PubChem CID20718591
Molecular FormulaC10H18O4P+
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium
SMILESC=CCC(C=C)CO[P+](=O)OOCCC
InChIInChI=1S/C10H18O4P/c1-4-7-10(6-3)9-13-15(11)14-12-8-5-2/h4,6,10H,1,3,5,7-9H2,2H3/q+1
InChIKeyXLKPCFCBKXGNJB-UHFFFAOYSA-N
XLogP3.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 13291223
Diethyl 4-methylpent-1-enyl phosphate
CID 134945786
But-3-enyl-(3-methylbutoxy)-oxophosphanium
CID 57066745
Bis(2,2-dimethylpent-4-enoxy)-oxophosphanium
CID 57165401
2-Methylpent-4-enyl dihydrogen phosphate
CID 87731856
Butoxy-(2-ethylpent-4-enoxy)-oxophosphanium
CID 88686407
2-Methylpent-4-enoxy-oxo-propoxyphosphanium
CID 88686860
Bis(but-3-enyl) butyl phosphate
CID 122452466
(Z)-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 123510870
2-Ethylbut-3-enoxy(methyl)phosphinic acid
CID 123578543
Cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate
CID 140591862
tris[(E)-3-methylbut-1-enyl] phosphate
CID 140661561

Frequently Asked Questions

What is the IUPAC name of 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium?
The IUPAC name of 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium (CID 20718591) is 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium.
What is the SMILES notation for 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium?
The canonical SMILES for 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium is C=CCC(C=C)CO[P+](=O)OOCCC.
What is the InChIKey of 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium?
The InChIKey is XLKPCFCBKXGNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4P/c1-4-7-10(6-3)9-13-15(11)14-12-8-5-2/h4,6,10H,1,3,5,7-9H2,2H3/q+1.
What are the key properties of 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium?
2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium has a molecular weight of 233.22 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpent-4-enoxy-oxo-propylperoxyphosphanium is sourced from PubChem (CID 20718591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).