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Details

Stereochemistry RACEMIC
Molecular Formula C8H14O2
Molecular Weight 142.1956
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIMETHYL-2,5-HEXANEDIONE, (3R,4R)-REL-

SMILES

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

InChI

InChIKey=GECZPGNLQXZLFU-WDSKDSINSA-N
InChI=1S/C8H14O2/c1-5(7(3)9)6(2)8(4)10/h5-6H,1-4H3/t5-,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H14O2
Molecular Weight 142.1956
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 12:55:59 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:59 GMT 2023
Record UNII
BWZ3PJ8WUF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIMETHYL-2,5-HEXANEDIONE, (3R,4R)-REL-
Common Name English
2,5-HEXANEDIONE, 3,4-DIMETHYL-, (±)-
Systematic Name English
2,5-HEXANEDIONE, 3,4-DIMETHYL-, (R*,R*)-(±)-
Common Name English
(±)-ERYTHRO-3,4-DIMETHYL-2,5-HEXANEDIONE
Common Name English
2,5-HEXANEDIONE, 3,4-DIMETHYL-, (3R,4R)-REL-
Systematic Name English
REL-(3R,4R)-3,4-DIMETHYL-2,5-HEXANEDIONE
Systematic Name English
2,5-HEXANEDIONE, 3,4-DIMETHYL-, (R*,R*)-
Systematic Name English
Code System Code Type Description
CAS
28895-03-6
Created by admin on Sat Dec 16 12:55:59 GMT 2023 , Edited by admin on Sat Dec 16 12:55:59 GMT 2023
PRIMARY
FDA UNII
BWZ3PJ8WUF
Created by admin on Sat Dec 16 12:55:59 GMT 2023 , Edited by admin on Sat Dec 16 12:55:59 GMT 2023
PRIMARY
PUBCHEM
92169878
Created by admin on Sat Dec 16 12:55:59 GMT 2023 , Edited by admin on Sat Dec 16 12:55:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID00183084
Created by admin on Sat Dec 16 12:55:59 GMT 2023 , Edited by admin on Sat Dec 16 12:55:59 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE