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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H22O
Molecular Weight 218.3346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DI-TERT-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE

SMILES

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

InChI

InChIKey=JJQCWPWUHZFKBN-UHFFFAOYSA-N
InChI=1S/C15H22O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3

HIDE SMILES / InChI

Molecular Formula C15H22O
Molecular Weight 218.3346
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Responses of tumorigenic and non-tumorigenic mouse lung epithelial cell lines to electrophilic metabolites of the tumor promoter butylated hydroxytoluene.
2003 Mar 6
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:18:25 GMT 2023
Edited
by admin
on Fri Dec 15 18:18:25 GMT 2023
Record UNII
49860VI52B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-DI-TERT-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE
Systematic Name English
BHT-QUINONE METHIDE
Common Name English
2,5-CCYCLOHEXADIEN-1-ONE, 2,6-BIS(1,1-DIMETHYLETHYL)-4- METHYLENE-
Common Name English
2,6-BIS(1,1-DIMETHYLETHYL)-4-METHYLENE-2,5-CYCLOHEXADIEN-1- ONE
Systematic Name English
2,6-DI-T-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70180707
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
CAS
2607-52-5
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
PUBCHEM
107736
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
FDA UNII
49860VI52B
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
MESH
C024709
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE