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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H11ClO
Molecular Weight 158.625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLORO-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE

SMILES

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

InChI

InChIKey=PJYTYJGMJDIKEJ-UHFFFAOYSA-N
InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H11ClO
Molecular Weight 158.625
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:07:21 GMT 2023
Edited
by admin
on Fri Dec 15 18:07:21 GMT 2023
Record UNII
E73W928G5O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLORO-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE
Systematic Name English
2-CYCLOHEXEN-1-ONE, 3-CHLORO-5,5-DIMETHYL-
Systematic Name English
5,5-DIMETHYL-3-CHLOROCYCLOHEX-2-ENONE
Systematic Name English
3-CHLORO-5,5-DIMETHYLCYCLOHEX-2-ENONE
Systematic Name English
3-CHLORO-5,5-DIMETHYLCYCLOHEX-2-ENE-1-ONE
Systematic Name English
Code System Code Type Description
CAS
17530-69-7
Created by admin on Fri Dec 15 18:07:21 GMT 2023 , Edited by admin on Fri Dec 15 18:07:21 GMT 2023
PRIMARY
FDA UNII
E73W928G5O
Created by admin on Fri Dec 15 18:07:21 GMT 2023 , Edited by admin on Fri Dec 15 18:07:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID20169966
Created by admin on Fri Dec 15 18:07:21 GMT 2023 , Edited by admin on Fri Dec 15 18:07:21 GMT 2023
PRIMARY
PUBCHEM
140243
Created by admin on Fri Dec 15 18:07:21 GMT 2023 , Edited by admin on Fri Dec 15 18:07:21 GMT 2023
PRIMARY