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CHEBI:87572 - 2,4,5-trimethyl-1,3-dioxolane

ChEBI IDCHEBI:87572
ChEBI Name2,4,5-trimethyl-1,3-dioxolane
Stars
DefinitionA dioxolane that is 1,3-dioxolane substituted by methyl groups at positions 2, 4 and 5 respectively.
Last Modified19 August 2015
Submitternamrata
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCC1OC(C)C(C)O1
InChIInChI=1S/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3
InChIKeyHLEXJAVJCZLRTH-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2,4,5-trimethyl-1,3-dioxolane (CHEBI:87572) has role metabolite (CHEBI:25212)
2,4,5-trimethyl-1,3-dioxolane (CHEBI:87572) is a dioxolane (CHEBI:39430)
IUPAC Name 
2,4,5-trimethyl-1,3-dioxolane
Manual XrefsDatabases
HMDB0040279HMDB
Registry NumbersSources
Reaxys:79874Reaxys
CAS:3299-32-9ChemIDplus
CAS:3299-32-9NIST Chemistry WebBook