U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H22O5
Molecular Weight 258.3108
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bis(1,1-dimethylethyl) 3-oxoglutarate

SMILES

CC(C)(C)OC(=O)CC(=O)CC(=O)OC(C)(C)C

InChI

InChIKey=KREDQIDLGFBDMQ-UHFFFAOYSA-N
InChI=1S/C13H22O5/c1-12(2,3)17-10(15)7-9(14)8-11(16)18-13(4,5)6/h7-8H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C13H22O5
Molecular Weight 258.3108
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:32:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:32:41 GMT 2023
Record UNII
T2V5QXD6RS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bis(1,1-dimethylethyl) 3-oxoglutarate
Systematic Name English
Pentanedioic acid, 3-oxo-, 1,5-bis(1,1-dimethylethyl) ester
Systematic Name English
Di-tert-butyl 1,3-acetonedicarboxylate
Systematic Name English
Glutaric acid, 3-oxo-, di-tert-butyl ester
Systematic Name English
1,5-Bis(1,1-dimethylethyl) 3-oxopentanedioate
Systematic Name English
Code System Code Type Description
PUBCHEM
119788
Created by admin on Sat Dec 16 12:32:41 GMT 2023 , Edited by admin on Sat Dec 16 12:32:41 GMT 2023
PRIMARY
FDA UNII
T2V5QXD6RS
Created by admin on Sat Dec 16 12:32:41 GMT 2023 , Edited by admin on Sat Dec 16 12:32:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-775-6
Created by admin on Sat Dec 16 12:32:41 GMT 2023 , Edited by admin on Sat Dec 16 12:32:41 GMT 2023
PRIMARY
CAS
28009-80-5
Created by admin on Sat Dec 16 12:32:41 GMT 2023 , Edited by admin on Sat Dec 16 12:32:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID60182290
Created by admin on Sat Dec 16 12:32:41 GMT 2023 , Edited by admin on Sat Dec 16 12:32:41 GMT 2023
PRIMARY