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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 2,2,4-Trimethyl-3-oxopentanoic acid

SMILES

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

InChI

InChIKey=NHHCQTLHIWRBTN-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-5(2)6(9)8(3,4)7(10)11/h5H,1-4H3,(H,10,11)

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 Wed Apr 02 19:16:32 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:32 GMT 2025
Record UNII
4328XS44ZD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Oxo-2,2,4-trimethylpentanoic acid
Preferred Name English
2,2,4-Trimethyl-3-oxopentanoic acid
Systematic Name English
Pentanoic acid, 2,2,4-trimethyl-3-oxo-
Systematic Name English
Code System Code Type Description
CAS
36332-30-6
Created by admin on Wed Apr 02 19:16:32 GMT 2025 , Edited by admin on Wed Apr 02 19:16:32 GMT 2025
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FDA UNII
4328XS44ZD
Created by admin on Wed Apr 02 19:16:32 GMT 2025 , Edited by admin on Wed Apr 02 19:16:32 GMT 2025
PRIMARY
PUBCHEM
13539870
Created by admin on Wed Apr 02 19:16:32 GMT 2025 , Edited by admin on Wed Apr 02 19:16:32 GMT 2025
PRIMARY