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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H20O3
Molecular Weight 224.2961
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-methyl-6-(1-methylethyl)-4-oxo-2-cyclohexene-1-carboxylate

SMILES

CCOC(=O)C1C(CC(=O)C=C1C)C(C)C

InChI

InChIKey=QBMOPULUXAKJTR-UHFFFAOYSA-N
InChI=1S/C13H20O3/c1-5-16-13(15)12-9(4)6-10(14)7-11(12)8(2)3/h6,8,11-12H,5,7H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Ethyl 2-methyl-6-(1-methylethyl)-4-oxo-2-cyclohexene-1-carboxylate
Systematic Name English
NSC-10159
Preferred Name English
3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one
Systematic Name English
2-Cyclohexene-1-carboxylic acid, 2-methyl-6-(1-methylethyl)-4-oxo-, ethyl ester
Systematic Name English
Code System Code Type Description
CAS
24079-95-6
Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025
PRIMARY
FDA UNII
R7FPA26UU8
Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
246-010-0
Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025
PRIMARY
PUBCHEM
91120
Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025
PRIMARY
NSC
10159
Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID60885254
Created by admin on Tue Apr 01 19:33:24 GMT 2025 , Edited by admin on Tue Apr 01 19:33:24 GMT 2025
PRIMARY