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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-isopropyl-1,3-dioxolane
ChEBI ID CHEBI:87317
Definition A dioxolane that is 1,3-dioxolane substituted by an isopropyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H12O2
Net Charge 0
Average Mass 116.15830
Monoisotopic Mass 116.08373
InChI InChI=1S/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3
InChIKey SMYRHRFGKYUCFB-UHFFFAOYSA-N
SMILES CC(C)C1OCCO1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-dioxolane NIST Chemistry WebBook
Registry Numbers Types Sources
102811 Reaxys Registry Number Reaxys
822-83-3 CAS Registry Number ChemIDplus
822-83-3 CAS Registry Number NIST Chemistry WebBook
Last Modified
02 September 2015