hydroperoxy-methoxy-methylphosphane

C2H7O3P — CID 91119068

IUPAChydroperoxy-methoxy-methylphosphane
SMILESCOP(C)OO
InChIInChI=1S/C2H7O3P/c1-4-6(2)5-3/h3H,1-2H3
InChIKeyDGMZVSFUSBQNJE-UHFFFAOYSA-N
MW110.05 g/mol
LogP1.06
Rot. Bonds2

About hydroperoxy-methoxy-methylphosphane

hydroperoxy-methoxy-methylphosphane (PubChem CID 91119068) has the molecular formula C2H7O3P and a molecular weight of 110.05 g/mol. Its IUPAC name is hydroperoxy-methoxy-methylphosphane.

Molecular Properties

Compound Namehydroperoxy-methoxy-methylphosphane
PubChem CID91119068
Molecular FormulaC2H7O3P
Molecular Weight110.05 g/mol
Exact Mass110.01
IUPAC Namehydroperoxy-methoxy-methylphosphane
SMILESCOP(C)OO
InChIInChI=1S/C2H7O3P/c1-4-6(2)5-3/h3H,1-2H3
InChIKeyDGMZVSFUSBQNJE-UHFFFAOYSA-N
XLogP1.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.05
LogP ≤ 51.06
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-methoxy-methylphosphane?
The IUPAC name of hydroperoxy-methoxy-methylphosphane (CID 91119068) is hydroperoxy-methoxy-methylphosphane.
What is the SMILES notation for hydroperoxy-methoxy-methylphosphane?
The canonical SMILES for hydroperoxy-methoxy-methylphosphane is COP(C)OO.
What is the InChIKey of hydroperoxy-methoxy-methylphosphane?
The InChIKey is DGMZVSFUSBQNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3P/c1-4-6(2)5-3/h3H,1-2H3.
What are the key properties of hydroperoxy-methoxy-methylphosphane?
hydroperoxy-methoxy-methylphosphane has a molecular weight of 110.05 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxy-methoxy-methylphosphane is sourced from PubChem (CID 91119068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).