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

Details

Stereochemistry RACEMIC
Molecular Formula C11H18O
Molecular Weight 166.26
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2,2,4-trimethyl-1-cyclohex-3-enyl)ethanone

SMILES

CC(=O)C1CCC(C)=CC1(C)C

InChI

InChIKey=APIYGDOSJKQKKZ-UHFFFAOYSA-N
InChI=1S/C11H18O/c1-8-5-6-10(9(2)12)11(3,4)7-8/h7,10H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C11H18O
Molecular Weight 166.26
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:17:36 GMT 2025
Edited
by admin
on Wed Apr 02 21:17:36 GMT 2025
Record UNII
2FWF856BDZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Acetyl-1,3,3-trimethyl-1-cyclohexene
Preferred Name English
1-(2,2,4-trimethyl-1-cyclohex-3-enyl)ethanone
Systematic Name English
Ethanone, 1-(2,2,4-trimethyl-3-cyclohexen-1-yl)-
Systematic Name English
Code System Code Type Description
FDA UNII
2FWF856BDZ
Created by admin on Wed Apr 02 21:17:36 GMT 2025 , Edited by admin on Wed Apr 02 21:17:36 GMT 2025
PRIMARY
CAS
55695-36-8
Created by admin on Wed Apr 02 21:17:36 GMT 2025 , Edited by admin on Wed Apr 02 21:17:36 GMT 2025
PRIMARY
PUBCHEM
3016988
Created by admin on Wed Apr 02 21:17:36 GMT 2025 , Edited by admin on Wed Apr 02 21:17:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID20971061
Created by admin on Wed Apr 02 21:17:36 GMT 2025 , Edited by admin on Wed Apr 02 21:17:36 GMT 2025
PRIMARY