hydroperoxy-oxo-prop-2-enylphosphanium

C3H6O3P+ — CID 87520848

IUPAChydroperoxy-oxo-prop-2-enylphosphanium
SMILESC=CC[P+](=O)OO
InChIInChI=1S/C3H5O3P/c1-2-3-7(5)6-4/h2H,1,3H2/p+1
InChIKeyRSQFZRNXORUKOK-UHFFFAOYSA-O
MW121.05 g/mol
LogP1.40
Rot. Bonds3

About hydroperoxy-oxo-prop-2-enylphosphanium

hydroperoxy-oxo-prop-2-enylphosphanium (PubChem CID 87520848) has the molecular formula C3H6O3P+ and a molecular weight of 121.05 g/mol. Its IUPAC name is hydroperoxy-oxo-prop-2-enylphosphanium.

Molecular Properties

Compound Namehydroperoxy-oxo-prop-2-enylphosphanium
PubChem CID87520848
Molecular FormulaC3H6O3P+
Molecular Weight121.05 g/mol
Exact Mass121.00
IUPAC Namehydroperoxy-oxo-prop-2-enylphosphanium
SMILESC=CC[P+](=O)OO
InChIInChI=1S/C3H5O3P/c1-2-3-7(5)6-4/h2H,1,3H2/p+1
InChIKeyRSQFZRNXORUKOK-UHFFFAOYSA-O
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.05
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of hydroperoxy-oxo-prop-2-enylphosphanium?
The IUPAC name of hydroperoxy-oxo-prop-2-enylphosphanium (CID 87520848) is hydroperoxy-oxo-prop-2-enylphosphanium.
What is the SMILES notation for hydroperoxy-oxo-prop-2-enylphosphanium?
The canonical SMILES for hydroperoxy-oxo-prop-2-enylphosphanium is C=CC[P+](=O)OO.
What is the InChIKey of hydroperoxy-oxo-prop-2-enylphosphanium?
The InChIKey is RSQFZRNXORUKOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5O3P/c1-2-3-7(5)6-4/h2H,1,3H2/p+1.
What are the key properties of hydroperoxy-oxo-prop-2-enylphosphanium?
hydroperoxy-oxo-prop-2-enylphosphanium has a molecular weight of 121.05 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxy-oxo-prop-2-enylphosphanium is sourced from PubChem (CID 87520848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).