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Details

Stereochemistry RACEMIC
Molecular Formula C12H22O2
Molecular Weight 198.3019
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIISOPROPYL-2,5-HEXANEDIONE, (±)-

SMILES

CC(C)[C@H]([C@@H](C(C)C)C(C)=O)C(C)=O

InChI

InChIKey=YNJBURGZLQLQNE-RYUDHWBXSA-N
InChI=1S/C12H22O2/c1-7(2)11(9(5)13)12(8(3)4)10(6)14/h7-8,11-12H,1-6H3/t11-,12-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3,4-DIISOPROPYL-2,5-HEXANEDIONE, (±)-
Systematic Name English
2,5-HEXANEDIONE, 3,4-BIS(1-METHYLETHYL)-, (3R,4R)-REL-
Systematic Name English
D,L-3,4-DIISOPROPYL-2,5-HEXANEDIONE
Systematic Name English
2,5-HEXANEDIONE, 3,4-BIS(1-METHYLETHYL)-, (R*,R*)-(±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5491621
Created by admin on Sat Dec 16 11:31:07 GMT 2023 , Edited by admin on Sat Dec 16 11:31:07 GMT 2023
PRIMARY
CAS
99902-11-1
Created by admin on Sat Dec 16 11:31:07 GMT 2023 , Edited by admin on Sat Dec 16 11:31:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID50244311
Created by admin on Sat Dec 16 11:31:07 GMT 2023 , Edited by admin on Sat Dec 16 11:31:07 GMT 2023
PRIMARY
FDA UNII
JU7Q783OS8
Created by admin on Sat Dec 16 11:31:07 GMT 2023 , Edited by admin on Sat Dec 16 11:31:07 GMT 2023
PRIMARY
NIH
NCATS
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