3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one

C6H12N2O5 — CID 88590183

IUPAC3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one
SMILESCOCN1COCN(OOC)C1=O
InChIInChI=1S/C6H12N2O5/c1-10-3-7-4-12-5-8(6(7)9)13-11-2/h3-5H2,1-2H3
InChIKeyXOCNLSLYNNHGHM-UHFFFAOYSA-N
MW192.17 g/mol
LogP-0.25
Rot. Bonds4

About 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one

3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one (PubChem CID 88590183) has the molecular formula C6H12N2O5 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one
PubChem CID88590183
Molecular FormulaC6H12N2O5
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Name3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one
SMILESCOCN1COCN(OOC)C1=O
InChIInChI=1S/C6H12N2O5/c1-10-3-7-4-12-5-8(6(7)9)13-11-2/h3-5H2,1-2H3
InChIKeyXOCNLSLYNNHGHM-UHFFFAOYSA-N
XLogP-0.25
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(methoxymethyl)imidazolidin-2-one
CID 161294962
1-hydroxy-3-(methoxymethyl)imidazolidin-2-one
CID 45082831
1-(methoxymethyl)azetidin-2-one
CID 154386918
1-(2-hydroxyethyl)-3-(methoxymethyl)imidazolidin-2-one
CID 67989939
1-(1-hydroxyethyl)-3-(methoxymethyl)imidazolidin-2-one
CID 89378670
1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one
CID 118459780
1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one
CID 59908451
4-(2-ethoxy-2,2-dihydroxyethyl)-1,3-bis(methoxymethyl)imidazolidin-2-one
CID 89011694
1,3-bis(ethoxymethyl)imidazolidin-2-one
CID 159426248
2-methoxyacetonitrile;3-methyl-1,3-oxazolidin-2-one
CID 69044333
3-methyl-5-[(2-nitrophenyl)methyl]-1,3,5-oxadiazinan-4-one
CID 66709669
3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374692

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one?
The IUPAC name of 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one (CID 88590183) is 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one is COCN1COCN(OOC)C1=O.
What is the InChIKey of 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one?
The InChIKey is XOCNLSLYNNHGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5/c1-10-3-7-4-12-5-8(6(7)9)13-11-2/h3-5H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one?
3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one has a molecular weight of 192.17 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-methylperoxy-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 88590183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).