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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
5'-substituted-6-carboxylic-2,2'-bipyridine acid: a pivotal architecton for building preorganized ligands.
2002 May 31
Acyclic nucleoside analogues as novel inhibitors of human mitochondrial thymidine kinase.
2002 Sep 12
Mechanistic studies of choline oxidase with betaine aldehyde and its isosteric analogue 3,3-dimethylbutyraldehyde.
2006 Feb 14
Kinetics and products of the reactions of oh radicals with 4,4-dimethyl-1-pentene and 3,3-dimethylbutanal at 296 +/- 2 K.
2010 May 13
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:45:42 GMT 2023
Edited
by admin
on Fri Dec 15 19:45:42 GMT 2023
Record UNII
CAM6HD7JKI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
3,3-DIMETHYLBUTANAL
Systematic Name English
Code System Code Type Description
MESH
C509990
Created by admin on Fri Dec 15 19:45:42 GMT 2023 , Edited by admin on Fri Dec 15 19:45:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-054-3
Created by admin on Fri Dec 15 19:45:42 GMT 2023 , Edited by admin on Fri Dec 15 19:45:42 GMT 2023
PRIMARY
CAS
2987-16-8
Created by admin on Fri Dec 15 19:45:42 GMT 2023 , Edited by admin on Fri Dec 15 19:45:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID60183984
Created by admin on Fri Dec 15 19:45:42 GMT 2023 , Edited by admin on Fri Dec 15 19:45:42 GMT 2023
PRIMARY
PUBCHEM
76335
Created by admin on Fri Dec 15 19:45:42 GMT 2023 , Edited by admin on Fri Dec 15 19:45:42 GMT 2023
PRIMARY
FDA UNII
CAM6HD7JKI
Created by admin on Fri Dec 15 19:45:42 GMT 2023 , Edited by admin on Fri Dec 15 19:45:42 GMT 2023
PRIMARY