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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H14O2
Molecular Weight 154.2063
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Isopropoxy-2-cyclohexenone

SMILES

CC(C)OC1=CC(=O)CCC1

InChI

InChIKey=IISFUJKHMFGYOU-UHFFFAOYSA-N
InChI=1S/C9H14O2/c1-7(2)11-9-5-3-4-8(10)6-9/h6-7H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H14O2
Molecular Weight 154.2063
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 Sat Dec 16 11:58:55 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:55 GMT 2023
Record UNII
7D6Y9E76SG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Isopropoxy-2-cyclohexenone
Systematic Name English
3-(1-Methylethoxy)-2-cyclohexen-1-one
Systematic Name English
3-Isopropoxycyclohex-2-en-1-one
Systematic Name English
2-Cyclohexen-1-one, 3-(1-methylethoxy)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
261-310-1
Created by admin on Sat Dec 16 11:58:55 GMT 2023 , Edited by admin on Sat Dec 16 11:58:55 GMT 2023
PRIMARY
PUBCHEM
94095
Created by admin on Sat Dec 16 11:58:56 GMT 2023 , Edited by admin on Sat Dec 16 11:58:56 GMT 2023
PRIMARY
CAS
58529-72-9
Created by admin on Sat Dec 16 11:58:55 GMT 2023 , Edited by admin on Sat Dec 16 11:58:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID90207243
Created by admin on Sat Dec 16 11:58:55 GMT 2023 , Edited by admin on Sat Dec 16 11:58:55 GMT 2023
PRIMARY
FDA UNII
7D6Y9E76SG
Created by admin on Sat Dec 16 11:58:55 GMT 2023 , Edited by admin on Sat Dec 16 11:58:55 GMT 2023
PRIMARY