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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-ISOPROPYLPENTANOIC ACID

SMILES

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

InChI

InChIKey=ODPKTGAWWHZBOY-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-4-5-7(6(2)3)8(9)10/h6-7H,4-5H2,1-3H3,(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 09:58:45 UTC 2023
Edited
by admin
on Sat Dec 16 09:58:45 UTC 2023
Record UNII
2B1J2157CO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ISOPROPYLPENTANOIC ACID
Systematic Name English
VALPROIC ACID RELATED COMPOUND B [USP-RS]
Common Name English
2-ISOPROPYLVALERIC ACID
Systematic Name English
PENTANOIC ACID, 2-(1-METHYLETHYL)-
Common Name English
VALPROIC ACID RELATED COMPOUND B [USP IMPURITY]
Common Name English
VALPROIC ACID IMPURITY C [EP IMPURITY]
Common Name English
2-ISOPROPYL PENTANOIC ACID
Systematic Name English
VALPROIC ACID RELATED COMPOUND B
USP   USP-RS  
Common Name English
Code System Code Type Description
PUBCHEM
147513
Created by admin on Sat Dec 16 09:58:45 UTC 2023 , Edited by admin on Sat Dec 16 09:58:45 UTC 2023
PRIMARY
RS_ITEM_NUM
1708718
Created by admin on Sat Dec 16 09:58:45 UTC 2023 , Edited by admin on Sat Dec 16 09:58:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID70881262
Created by admin on Sat Dec 16 09:58:45 UTC 2023 , Edited by admin on Sat Dec 16 09:58:45 UTC 2023
PRIMARY
CAS
62391-99-5
Created by admin on Sat Dec 16 09:58:45 UTC 2023 , Edited by admin on Sat Dec 16 09:58:45 UTC 2023
PRIMARY
ECHA (EC/EINECS)
263-529-8
Created by admin on Sat Dec 16 09:58:45 UTC 2023 , Edited by admin on Sat Dec 16 09:58:45 UTC 2023
PRIMARY
FDA UNII
2B1J2157CO
Created by admin on Sat Dec 16 09:58:45 UTC 2023 , Edited by admin on Sat Dec 16 09:58:45 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (GC)
EP