CHEBI:131193 - 2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane

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ChEBI Name 2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane
ChEBI ID CHEBI:131193
Definition A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by a 4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H16BrCl3O2
Net Charge 0
Average Mass 354.496
Monoisotopic Mass 351.93993
InChI InChI=1S/C10H16BrCl3O2/c1-9(2,8-15-3-4-16-8)5-7(11)6-10(12,13)14/h7-8H,3-6H2,1-2H3
InChIKey LGEDTAQVQMEESC-UHFFFAOYSA-N
SMILES O1C(OCC1)C(CC(Br)CC(Cl)(Cl)Cl)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
ChEBI Ontology
Outgoing 2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane (CHEBI:131193) has parent hydride 1,3-dioxolane (CHEBI:87597)
2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane (CHEBI:131193) is a cyclic acetal (CHEBI:59770)
2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane (CHEBI:131193) is a dioxolane (CHEBI:39430)
2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane (CHEBI:131193) is a organobromine compound (CHEBI:37141)
2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane (CHEBI:131193) is a organochlorine compound (CHEBI:36683)
IUPAC Name
2-(4-bromo-6,6,6-trichloro-2-methylhexan-2-yl)-1,3-dioxolane
Last Modified
27 July 2016