Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:87595 - 1-isopropoxyacetone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1-isopropoxyacetone
ChEBI ID
CHEBI:87595
Definition
A methyl ketone that is acetone substituted by an isopropoxy group at position 1.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H12O2
Net Charge
0
Average Mass
116.15830
Monoisotopic Mass
116.08373
InChI
InChI=1S/C6H12O2/c1-5(2)8-4-6(3)7/h5H,4H2,1-3H3
InChIKey
SICINPWJIHTHON-UHFFFAOYSA-N
SMILES
CC(C)OCC(C)=O
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
1-isopropoxyacetone (
CHEBI:87595
)
has role
metabolite (
CHEBI:25212
)
1-isopropoxyacetone (
CHEBI:87595
)
is a
ether (
CHEBI:25698
)
1-isopropoxyacetone (
CHEBI:87595
)
is a
methyl ketone (
CHEBI:51867
)
IUPAC Name
1-[(propan-2-yl)oxy]propan-2-one
Synonym
Source
1-(1-methylethoxy)-2-propanone
ChEBI
Registry Number
Type
Source
1699876
Reaxys Registry Number
Reaxys
Last Modified
20 August 2015