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Details

Stereochemistry ACHIRAL
Molecular Formula C12H22O2
Molecular Weight 198.3019
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=YNJBURGZLQLQNE-TXEJJXNPSA-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+

HIDE SMILES / InChI

Molecular Formula C12H22O2
Molecular Weight 198.3019
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:31:07 GMT 2023
Edited
by admin
on Sat Dec 16 11:31:07 GMT 2023
Record UNII
WP469QF0T2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIISOPROPYL-2,5-HEXANEDIONE, (MESO)-
Common Name English
MESO-3,4-DIISOPROPYL-2,5-HEXANEDIONE
Systematic Name English
2,5-HEXANEDIONE, 3,4-BIS(1-METHYLETHYL)-, (R*,S*)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90244310
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
PUBCHEM
181331
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
WP469QF0T2
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
99902-10-0
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