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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O
Molecular Weight 100.1589
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-DIMETHYLBUTYRALDEHYDE

SMILES

CC(C)(C)CC=O

InChI

InChIKey=LTNUSYNQZJZUSY-UHFFFAOYSA-N
InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H12O
Molecular Weight 100.1589
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Kinetics and products of the reactions of oh radicals with 4,4-dimethyl-1-pentene and 3,3-dimethylbutanal at 296 +/- 2 K.
2010-05-13
Mechanistic studies of choline oxidase with betaine aldehyde and its isosteric analogue 3,3-dimethylbutyraldehyde.
2006-02-14
Acyclic nucleoside analogues as novel inhibitors of human mitochondrial thymidine kinase.
2002-09-12
5'-substituted-6-carboxylic-2,2'-bipyridine acid: a pivotal architecton for building preorganized ligands.
2002-05-31
Assessment of acyl groups and reaction conditions in the competition between perhydrolysis and hydrolysis of acyl resorufins for developing an indicator reaction for fluorometric analysis of hydrogen peroxide.
2002-02
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:56:09 GMT 2025
Edited
by admin
on Mon Mar 31 19:56:09 GMT 2025
Record UNII
CAM6HD7JKI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3-DIMETHYLBUTANAL
Preferred Name English
3,3-DIMETHYLBUTYRALDEHYDE
Systematic Name English
TERT-BUTYLACETALDEHYDE
Systematic Name English
3-METHYL-ISOVALERALDEHYDE
Systematic Name English
BUTANAL, 3,3-DIMETHYL-
Systematic Name English
BUTYRALDEHYDE, 3,3-DIMETHYL-
Systematic Name English
Code System Code Type Description
MESH
C509990
Created by admin on Mon Mar 31 19:56:09 GMT 2025 , Edited by admin on Mon Mar 31 19:56:09 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-054-3
Created by admin on Mon Mar 31 19:56:09 GMT 2025 , Edited by admin on Mon Mar 31 19:56:09 GMT 2025
PRIMARY
CAS
2987-16-8
Created by admin on Mon Mar 31 19:56:09 GMT 2025 , Edited by admin on Mon Mar 31 19:56:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID60183984
Created by admin on Mon Mar 31 19:56:09 GMT 2025 , Edited by admin on Mon Mar 31 19:56:09 GMT 2025
PRIMARY
PUBCHEM
76335
Created by admin on Mon Mar 31 19:56:09 GMT 2025 , Edited by admin on Mon Mar 31 19:56:09 GMT 2025
PRIMARY
FDA UNII
CAM6HD7JKI
Created by admin on Mon Mar 31 19:56:09 GMT 2025 , Edited by admin on Mon Mar 31 19:56:09 GMT 2025
PRIMARY