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CHEBI:87317 - 2-isopropyl-1,3-dioxolane

ChEBI IDCHEBI:87317
ChEBI Name2-isopropyl-1,3-dioxolane
Stars
DefinitionA dioxolane that is 1,3-dioxolane substituted by an isopropyl group at position 2.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCC(C)C1OCCO1
InChIInChI=1S/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3
InChIKeySMYRHRFGKYUCFB-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-isopropyl-1,3-dioxolane (CHEBI:87317) has parent hydride 1,3-dioxolane (CHEBI:87597)
2-isopropyl-1,3-dioxolane (CHEBI:87317) has role metabolite (CHEBI:25212)
2-isopropyl-1,3-dioxolane (CHEBI:87317) is a dioxolane (CHEBI:39430)
IUPAC Name 
2-(propan-2-yl)-1,3-dioxolane
Synonym  Source
2-(1-Methylethyl)-1,3-dioxolaneNIST Chemistry WebBook
Registry NumbersSources
Reaxys:102811Reaxys
CAS:822-83-3ChemIDplus
CAS:822-83-3NIST Chemistry WebBook