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 3,6-DIMETHYL-6-(1-METHYLETHYL)-2-CYCLOHEXEN-1-ONE

SMILES

CC(C)C1(C)CCC(C)=CC1=O

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
3,6-DIMETHYL-6-(1-METHYLETHYL)-2-CYCLOHEXEN-1-ONE
Systematic Name English
2-CYCLOHEXEN-1-ONE, 3,6-DIMETHYL-6-(1-METHYLETHYL)-
Preferred Name English
2-CYCLOHEXEN-1-ONE, 6-ISOPROPYL-3,6-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
Q9702ITL59
Created by admin on Mon Mar 31 23:07:56 GMT 2025 , Edited by admin on Mon Mar 31 23:07:56 GMT 2025
PRIMARY
CAS
54410-58-1
Created by admin on Mon Mar 31 23:07:56 GMT 2025 , Edited by admin on Mon Mar 31 23:07:56 GMT 2025
PRIMARY
PUBCHEM
557670
Created by admin on Mon Mar 31 23:07:56 GMT 2025 , Edited by admin on Mon Mar 31 23:07:56 GMT 2025
PRIMARY