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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O
Molecular Weight 190.2814
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of MEGASTIGMATRIENONE C

SMILES

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

InChI

InChIKey=CBQXHTWJSZXYSK-UNKATYBDSA-N
InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5-,12-7+

HIDE SMILES / InChI

Approval Year

Name Type Language
2-CYCLOHEXEN-1-ONE, 4-(2-BUTENYLIDENE)-3,5,5-TRIMETHYL-, (Z,Z)-
Preferred Name English
MEGASTIGMATRIENONE C
Common Name English
MEGASTIGMATRIENONE 2
Common Name English
2-CYCLOHEXEN-1-ONE, 4-(2Z)-2-BUTEN-1-YLIDENE-3,5,5-TRIMETHYL-, (4Z)-
Systematic Name English
2-CYCLOHEXEN-1-ONE, 4-(2Z)-2-BUTENYLIDENE-3,5,5-TRIMETHYL-, (4Z)-
Systematic Name English
Code System Code Type Description
CAS
5164-79-4
Created by admin on Mon Mar 31 20:38:51 GMT 2025 , Edited by admin on Mon Mar 31 20:38:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID601315141
Created by admin on Mon Mar 31 20:38:51 GMT 2025 , Edited by admin on Mon Mar 31 20:38:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-944-2
Created by admin on Mon Mar 31 20:38:51 GMT 2025 , Edited by admin on Mon Mar 31 20:38:51 GMT 2025
PRIMARY
PUBCHEM
6437349
Created by admin on Mon Mar 31 20:38:51 GMT 2025 , Edited by admin on Mon Mar 31 20:38:51 GMT 2025
PRIMARY
FDA UNII
8T99GI1LJM
Created by admin on Mon Mar 31 20:38:51 GMT 2025 , Edited by admin on Mon Mar 31 20:38:51 GMT 2025
PRIMARY