Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006918

Phytochemical name: 1,4,7,10-Tetraoxacyclodecane

Synonymous chemical names:
1,4,7,10-tetraoxa-cyclodecane, 1,4,7,10-tetraoxacyclodecane

External chemical identifiers:
CID:CID_19087899, SureChEMBL:SCHEMBL9176230

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Chemical structure information

SMILES:
C1COCCOOCCO1

InChI:
InChI=1S/C6H12O4/c1-2-8-4-6-10-9-5-3-7-1/h1-6H2

InChIKey:
AVJYNJQKPDKJBG-UHFFFAOYSA-N

DeepSMILES:
CCOCCOOCCO%10

Functional groups:
COC, COOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1COCCOOCCO1

Scaffold Graph/Node level:
C1COCCOOCCO1

Scaffold Graph level:
C1CCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

ClassyFire Subclass: Organic peroxides

NP-Likeness score: -0.233

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Chemical structure download