2-hydroperoxy-1,3-dioxetane

C2H4O4 — CID 175323429

IUPAC2-hydroperoxy-1,3-dioxetane
SMILESOOC1OCO1
InChIInChI=1S/C2H4O4/c3-6-2-4-1-5-2/h2-3H,1H2
InChIKeyMQABLKUUQOYRKP-UHFFFAOYSA-N
MW92.05 g/mol
LogP-0.24
Rot. Bonds1

About 2-hydroperoxy-1,3-dioxetane

2-hydroperoxy-1,3-dioxetane (PubChem CID 175323429) has the molecular formula C2H4O4 and a molecular weight of 92.05 g/mol. Its IUPAC name is 2-hydroperoxy-1,3-dioxetane.

Molecular Properties

Compound Name2-hydroperoxy-1,3-dioxetane
PubChem CID175323429
Molecular FormulaC2H4O4
Molecular Weight92.05 g/mol
Exact Mass92.01
IUPAC Name2-hydroperoxy-1,3-dioxetane
SMILESOOC1OCO1
InChIInChI=1S/C2H4O4/c3-6-2-4-1-5-2/h2-3H,1H2
InChIKeyMQABLKUUQOYRKP-UHFFFAOYSA-N
XLogP-0.24
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.05
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate
CID 67458119
2-methoxy-1,3,5-trioxane
CID 174269778
(2R)-2-hydroperoxyoxetan-3-ol
CID 118398660
2-chloro-1,3-dioxetane
CID 57084930
(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
CID 23266361
(3R,4S,6R)-6-hydroperoxyoxane-3,4-diol
CID 134233154
(4R,5S)-4,5-dimethyl-1,3-dioxolane
CID 13085378
2-but-2-en-2-yl-1,3-dioxetane
CID 123232646
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[(2S)-3-hydroperoxyoxolan-2-yl]methanol
CID 142984914
diethyl (4S,5S)-1,3-dioxolane-4,5-dicarboxylate
CID 6941512
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-1,3-dioxetane?
The IUPAC name of 2-hydroperoxy-1,3-dioxetane (CID 175323429) is 2-hydroperoxy-1,3-dioxetane.
What is the SMILES notation for 2-hydroperoxy-1,3-dioxetane?
The canonical SMILES for 2-hydroperoxy-1,3-dioxetane is OOC1OCO1.
What is the InChIKey of 2-hydroperoxy-1,3-dioxetane?
The InChIKey is MQABLKUUQOYRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4/c3-6-2-4-1-5-2/h2-3H,1H2.
What are the key properties of 2-hydroperoxy-1,3-dioxetane?
2-hydroperoxy-1,3-dioxetane has a molecular weight of 92.05 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-1,3-dioxetane is sourced from PubChem (CID 175323429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).