hydroperoxy-methyl-oxophosphanium

CH4O3P+ — CID 18335943

IUPAChydroperoxy-methyl-oxophosphanium
SMILESC[P+](=O)OO
InChIInChI=1S/CH3O3P/c1-5(3)4-2/h1H3/p+1
InChIKeyZLCGZNCSTWBPLQ-UHFFFAOYSA-O
MW95.01 g/mol
LogP0.85
Rot. Bonds1

About hydroperoxy-methyl-oxophosphanium

hydroperoxy-methyl-oxophosphanium (PubChem CID 18335943) has the molecular formula CH4O3P+ and a molecular weight of 95.01 g/mol. Its IUPAC name is hydroperoxy-methyl-oxophosphanium.

Molecular Properties

Compound Namehydroperoxy-methyl-oxophosphanium
PubChem CID18335943
Molecular FormulaCH4O3P+
Molecular Weight95.01 g/mol
Exact Mass94.99
IUPAC Namehydroperoxy-methyl-oxophosphanium
SMILESC[P+](=O)OO
InChIInChI=1S/CH3O3P/c1-5(3)4-2/h1H3/p+1
InChIKeyZLCGZNCSTWBPLQ-UHFFFAOYSA-O
XLogP0.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.01
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-methyl-oxophosphanium?
The IUPAC name of hydroperoxy-methyl-oxophosphanium (CID 18335943) is hydroperoxy-methyl-oxophosphanium.
What is the SMILES notation for hydroperoxy-methyl-oxophosphanium?
The canonical SMILES for hydroperoxy-methyl-oxophosphanium is C[P+](=O)OO.
What is the InChIKey of hydroperoxy-methyl-oxophosphanium?
The InChIKey is ZLCGZNCSTWBPLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/CH3O3P/c1-5(3)4-2/h1H3/p+1.
What are the key properties of hydroperoxy-methyl-oxophosphanium?
hydroperoxy-methyl-oxophosphanium has a molecular weight of 95.01 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxy-methyl-oxophosphanium is sourced from PubChem (CID 18335943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).