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Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O3
Molecular Weight 186.2481
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2,2,4-trimethyl-3-oxopentanoate

SMILES

CCOC(=O)C(C)(C)C(=O)C(C)C

InChI

InChIKey=IINVHMMMAUHNDG-UHFFFAOYSA-N
InChI=1S/C10H18O3/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7H,6H2,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Ethyl 2,2,4-trimethyl-3-oxopentanoate
Systematic Name English
Ethyl 2,2,4-trimethyl-3-oxovalerate
Preferred Name English
Pentanoic acid, 2,2,4-trimethyl-3-oxo-, ethyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00278489
Created by admin on Wed Apr 02 20:52:42 GMT 2025 , Edited by admin on Wed Apr 02 20:52:42 GMT 2025
PRIMARY
FDA UNII
ZJU58EP3D8
Created by admin on Wed Apr 02 20:52:42 GMT 2025 , Edited by admin on Wed Apr 02 20:52:42 GMT 2025
PRIMARY
PUBCHEM
222200
Created by admin on Wed Apr 02 20:52:42 GMT 2025 , Edited by admin on Wed Apr 02 20:52:42 GMT 2025
PRIMARY
CAS
4447-64-7
Created by admin on Wed Apr 02 20:52:42 GMT 2025 , Edited by admin on Wed Apr 02 20:52:42 GMT 2025
PRIMARY
NIH
NCATS
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