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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H14O
Molecular Weight 150.2176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLENEISOPHORONE

SMILES

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

InChI

InChIKey=MCGQFKNFKWPWAA-UHFFFAOYSA-N
InChI=1S/C10H14O/c1-7-5-9(11)6-10(3,4)8(7)2/h5H,2,6H2,1,3-4H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-METHYLENEISOPHORONE
Common Name English
3,5,5-TRIMETHYL-4-METHYLENE-1-CYCLOHEXANON-2-ENE
Systematic Name English
4-METHYLENE-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE
Systematic Name English
METHYLENEISOPHORONE
Common Name English
2-CYCLOHEXEN-1-ONE, 3,5,5-TRIMETHYL-4-METHYLENE-
Systematic Name English
Code System Code Type Description
PUBCHEM
641351
Created by admin on Sat Dec 16 14:45:15 GMT 2023 , Edited by admin on Sat Dec 16 14:45:15 GMT 2023
PRIMARY
CAS
20548-00-9
Created by admin on Sat Dec 16 14:45:15 GMT 2023 , Edited by admin on Sat Dec 16 14:45:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID10348889
Created by admin on Sat Dec 16 14:45:15 GMT 2023 , Edited by admin on Sat Dec 16 14:45:15 GMT 2023
PRIMARY
FDA UNII
D5MU2X8KSH
Created by admin on Sat Dec 16 14:45:15 GMT 2023 , Edited by admin on Sat Dec 16 14:45:15 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966