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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,4,5-trimethyl-1,3-dioxolane
ChEBI ID CHEBI:87572
Definition A dioxolane that is 1,3-dioxolane substituted by methyl groups at positions 2, 4 and 5 respectively.
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 116.084
InChI InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3
InChIKey HLEXJAVJCZLRTH-UHFFFAOYSA-N
SMILES CC1OC(C)C(C)O1
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 2,4,5-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 Xref Database
HMDB0040279 HMDB
View more database links
Registry Numbers Types Sources
3299-32-9 CAS Registry Number NIST Chemistry WebBook
3299-32-9 CAS Registry Number ChemIDplus
79874 Reaxys Registry Number Reaxys
Last Modified
19 August 2015