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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=UMJGAWHIMHSGMU-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-9H2,1-3H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
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 09:58:48 GMT 2023
Edited
by admin
on Sat Dec 16 09:58:48 GMT 2023
Record UNII
J6TN518LGK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-DIPROPYLPENTANOIC ACID
Systematic Name English
2,2-DIPROPYLVALERIC ACID
Systematic Name English
TRIPROPYLACETIC ACID
Systematic Name English
PENTANOIC ACID, 2,2-DIPROPYL-
Systematic Name English
VALPROIC ACID IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
104067
Created by admin on Sat Dec 16 09:58:48 GMT 2023 , Edited by admin on Sat Dec 16 09:58:48 GMT 2023
PRIMARY
CAS
52061-75-3
Created by admin on Sat Dec 16 09:58:48 GMT 2023 , Edited by admin on Sat Dec 16 09:58:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
257-631-1
Created by admin on Sat Dec 16 09:58:48 GMT 2023 , Edited by admin on Sat Dec 16 09:58:48 GMT 2023
PRIMARY
FDA UNII
J6TN518LGK
Created by admin on Sat Dec 16 09:58:48 GMT 2023 , Edited by admin on Sat Dec 16 09:58:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID90200037
Created by admin on Sat Dec 16 09:58:48 GMT 2023 , Edited by admin on Sat Dec 16 09:58:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (GC)
EP