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

Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-2-METHYLPENTANOIC ACID

SMILES

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

InChI

InChIKey=WUWPVNVBYOKSSZ-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-4-6-8(3,5-2)7(9)10/h4-6H2,1-3H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:58:48 UTC 2023
Edited
by admin
on Sat Dec 16 09:58:48 UTC 2023
Record UNII
IFK7LO5002
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYL-2-METHYLPENTANOIC ACID
Systematic Name English
PENTANOIC ACID, 2-ETHYL-2-METHYL-
Systematic Name English
2-METHYL-2-ETHYLPENTANOIC ACID
Systematic Name English
VALPROIC ACID IMPURITY K [EP IMPURITY]
Common Name English
2-ETHYL-2-METHYLPENTANOIC ACID, (±)-
Systematic Name English
.ALPHA.-ETHYL-.ALPHA.-METHYLVALERIC ACID
Systematic Name English
.ALPHA.-METHYL-.ALPHA.-ETHYLVALERIC ACID
Systematic Name English
NSC-466
Code English
VALPROIC ACID RELATED COMPOUND K [USP-RS]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
226-284-8
Created by admin on Sat Dec 16 09:58:49 UTC 2023 , Edited by admin on Sat Dec 16 09:58:49 UTC 2023
PRIMARY
NSC
466
Created by admin on Sat Dec 16 09:58:49 UTC 2023 , Edited by admin on Sat Dec 16 09:58:49 UTC 2023
PRIMARY
PUBCHEM
95300
Created by admin on Sat Dec 16 09:58:49 UTC 2023 , Edited by admin on Sat Dec 16 09:58:49 UTC 2023
PRIMARY
RS_ITEM_NUM
1708650
Created by admin on Sat Dec 16 09:58:49 UTC 2023 , Edited by admin on Sat Dec 16 09:58:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID10881261
Created by admin on Sat Dec 16 09:58:49 UTC 2023 , Edited by admin on Sat Dec 16 09:58:49 UTC 2023
PRIMARY
FDA UNII
IFK7LO5002
Created by admin on Sat Dec 16 09:58:49 UTC 2023 , Edited by admin on Sat Dec 16 09:58:49 UTC 2023
PRIMARY
CAS
5343-52-2
Created by admin on Sat Dec 16 09:58:49 UTC 2023 , Edited by admin on Sat Dec 16 09:58:49 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP