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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O2
Molecular Weight 130.1849
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-DIMETHYLVALERIC ACID

SMILES

CCCC(C)(C)C(O)=O

InChI

InChIKey=ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C7H14O2
Molecular Weight 130.1849
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma.
2008 Feb 1
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:55:33 GMT 2023
Edited
by admin
on Fri Dec 15 17:55:33 GMT 2023
Record UNII
95233IS466
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-DIMETHYLVALERIC ACID
Systematic Name English
NSC-61983
Code English
PENTANOIC ACID, 2,2-DIMETHYL-
Common Name English
VALERIC ACID, 2,2-DIMETHYL-
Common Name English
.ALPHA.,.ALPHA.-DIMETHYLVALERIC ACID
Systematic Name English
2,2-DIMETHYLPENTANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
14455
Created by admin on Fri Dec 15 17:55:33 GMT 2023 , Edited by admin on Fri Dec 15 17:55:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-682-4
Created by admin on Fri Dec 15 17:55:33 GMT 2023 , Edited by admin on Fri Dec 15 17:55:33 GMT 2023
PRIMARY
FDA UNII
95233IS466
Created by admin on Fri Dec 15 17:55:33 GMT 2023 , Edited by admin on Fri Dec 15 17:55:33 GMT 2023
PRIMARY
CAS
1185-39-3
Created by admin on Fri Dec 15 17:55:33 GMT 2023 , Edited by admin on Fri Dec 15 17:55:33 GMT 2023
PRIMARY
MESH
C028088
Created by admin on Fri Dec 15 17:55:33 GMT 2023 , Edited by admin on Fri Dec 15 17:55:33 GMT 2023
PRIMARY
NSC
61983
Created by admin on Fri Dec 15 17:55:33 GMT 2023 , Edited by admin on Fri Dec 15 17:55:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID70152141
Created by admin on Fri Dec 15 17:55:33 GMT 2023 , Edited by admin on Fri Dec 15 17:55:33 GMT 2023
PRIMARY