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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXANOIC ACID, 5-METHYL-3-OXO-, METHYL ESTER

SMILES

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

InChI

InChIKey=WUGKTJAKSVEAFG-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-6(2)4-7(9)5-8(10)11-3/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
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 Mon Mar 31 19:51:11 GMT 2025
Edited
by admin
on Mon Mar 31 19:51:11 GMT 2025
Record UNII
8HH8B3RXAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXANOIC ACID, 5-METHYL-3-OXO-, METHYL ESTER
Common Name English
ISOVALERYLACETIC ACID METHYL ESTER
Preferred Name English
METHYL 5-METHYL-3-OXOHEXANOATE
Systematic Name English
METHYL 3-OXO-5-METHYLHEXANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
8HH8B3RXAQ
Created by admin on Mon Mar 31 19:51:11 GMT 2025 , Edited by admin on Mon Mar 31 19:51:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID50865540
Created by admin on Mon Mar 31 19:51:11 GMT 2025 , Edited by admin on Mon Mar 31 19:51:11 GMT 2025
PRIMARY
CAS
30414-55-2
Created by admin on Mon Mar 31 19:51:11 GMT 2025 , Edited by admin on Mon Mar 31 19:51:11 GMT 2025
PRIMARY
PUBCHEM
121701
Created by admin on Mon Mar 31 19:51:11 GMT 2025 , Edited by admin on Mon Mar 31 19:51:11 GMT 2025
PRIMARY