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:141557 - 2,2-dimethylpropanal
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2,2-dimethylpropanal
ChEBI ID
CHEBI:141557
Definition
A member of the class of propanals that is propanal substituted by two methyl groups at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C5H10O
Net Charge
0
Average Mass
86.132
Monoisotopic Mass
86.07316
InChI
InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
InChIKey
FJJYHTVHBVXEEQ-UHFFFAOYSA-N
SMILES
[H]C(C(C)(C)C)=O
ChEBI Ontology
Outgoing
2,2-dimethylpropanal (
CHEBI:141557
)
is a
2-methyl-branched fatty aldehyde (
CHEBI:49188
)
2,2-dimethylpropanal (
CHEBI:141557
)
is a
propanals (
CHEBI:26282
)
IUPAC Name
pivalaldehyde
Synonyms
Sources
2,2-dimethylpropanal
UniProt
2,2-dimethylpropanal
ChEBI
2,2-dimethylpropionaldehyde
ChEBI
pivaldehyde
ChEBI
trimethylacetaldehyde
ChEBI
Manual Xrefs
Databases
CN1562931
Patent
CPD0-1678
MetaCyc
Pivaldehyde
Wikipedia
View more database links
Registry Numbers
Types
Sources
506060
Reaxys Registry Number
Reaxys
630-19-3
CAS Registry Number
NIST Chemistry WebBook
630-19-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11716708
PubMed citation
Europe PMC
15669041
PubMed citation
Europe PMC
16626124
PubMed citation
Europe PMC
Last Modified
25 September 2023