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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O4
Molecular Weight 160.1678
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-DIMETHYLGLUTARIC ACID

SMILES

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

InChI

InChIKey=DUHQIGLHYXLKAE-UHFFFAOYSA-N
InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H12O4
Molecular Weight 160.1678
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 Tue Apr 01 17:41:33 GMT 2025
Edited
by admin
on Tue Apr 01 17:41:33 GMT 2025
Record UNII
TF8F62R475
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3-DIMETHYLGLUTARIC ACID
Systematic Name English
NSC-14987
Preferred Name English
3,3-DIMETHYLPENTANEDIOIC ACID
Systematic Name English
NSC-49114
Code English
GLUTARIC ACID, 3,3-DIMETHYL-
Systematic Name English
PENTANEDIOIC ACID, 3,3-DIMETHYL-
Systematic Name English
Code System Code Type Description
CHEMBL
1605317
Created by admin on Tue Apr 01 17:41:33 GMT 2025 , Edited by admin on Tue Apr 01 17:41:33 GMT 2025
PRIMARY
CAS
4839-46-7
Created by admin on Tue Apr 01 17:41:33 GMT 2025 , Edited by admin on Tue Apr 01 17:41:33 GMT 2025
PRIMARY
NSC
49114
Created by admin on Tue Apr 01 17:41:33 GMT 2025 , Edited by admin on Tue Apr 01 17:41:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID9063617
Created by admin on Tue Apr 01 17:41:33 GMT 2025 , Edited by admin on Tue Apr 01 17:41:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-425-0
Created by admin on Tue Apr 01 17:41:33 GMT 2025 , Edited by admin on Tue Apr 01 17:41:33 GMT 2025
PRIMARY
PUBCHEM
20984
Created by admin on Tue Apr 01 17:41:33 GMT 2025 , Edited by admin on Tue Apr 01 17:41:33 GMT 2025
PRIMARY
FDA UNII
TF8F62R475
Created by admin on Tue Apr 01 17:41:33 GMT 2025 , Edited by admin on Tue Apr 01 17:41:33 GMT 2025
PRIMARY
NSC
14987
Created by admin on Tue Apr 01 17:41:33 GMT 2025 , Edited by admin on Tue Apr 01 17:41:33 GMT 2025
PRIMARY