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

ChEBI IDCHEBI:131193
ChEBI Name2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane
Stars
DefinitionA 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.
Last Modified27 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC10H16BrCl3O2
Net Charge0
Average Mass354.499
Monoisotopic Mass351.93992
SMILESCC(C)(CC(Br)CC(Cl)(Cl)Cl)C1OCCO1
InChIInChI=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
InChIKeyLGEDTAQVQMEESC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (26839171)
- MetaboLights (MTBLS298)
ChEBI Ontology
Outgoing Relation(s)
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