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

Details

Stereochemistry RACEMIC
Molecular Formula C9H16O
Molecular Weight 140.2227
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3,5-TRIMETHYLCYCLOHEXANONE

SMILES

CC1CC(=O)CC(C)(C)C1

InChI

InChIKey=POSWICCRDBKBMH-UHFFFAOYSA-N
InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3,3,5-TRIMETHYLCYCLOHEXANONE
Systematic Name English
(±)-DIHYDROISOPHORONE
Systematic Name English
J68.885A
Code English
CYCLOHEXANONE, 3,3,5-TRIMETHYL-
Systematic Name English
(±)-3,3,5-TRIMETHYLCYCLOHEXANONE
Systematic Name English
DIHYDROISOPHORONE
Systematic Name English
3,3,5-TRIMETHYLCYCLOHEXAN-1-ONE
Systematic Name English
3,3,5-TRIMETHYL-1-CYCLOHEXANONE
Systematic Name English
Code System Code Type Description
FDA UNII
QXG9U7N202
Created by admin on Sat Dec 16 09:08:46 GMT 2023 , Edited by admin on Sat Dec 16 09:08:46 GMT 2023
PRIMARY
CAS
873-94-9
Created by admin on Sat Dec 16 09:08:46 GMT 2023 , Edited by admin on Sat Dec 16 09:08:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-855-9
Created by admin on Sat Dec 16 09:08:46 GMT 2023 , Edited by admin on Sat Dec 16 09:08:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID5044996
Created by admin on Sat Dec 16 09:08:46 GMT 2023 , Edited by admin on Sat Dec 16 09:08:46 GMT 2023
PRIMARY
PUBCHEM
13398
Created by admin on Sat Dec 16 09:08:46 GMT 2023 , Edited by admin on Sat Dec 16 09:08:46 GMT 2023
PRIMARY