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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O3
Molecular Weight 210.2695
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyl-2-(3-oxopentyl)cyclohexan-1,3-dione

SMILES

CCC(=O)CCC1(C)C(=O)CCCC1=O

InChI

InChIKey=ZARBRIHTWIAEBW-UHFFFAOYSA-N
InChI=1S/C12H18O3/c1-3-9(13)7-8-12(2)10(14)5-4-6-11(12)15/h3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H18O3
Molecular Weight 210.2695
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 Wed Apr 02 05:41:49 GMT 2025
Edited
by admin
on Wed Apr 02 05:41:49 GMT 2025
Record UNII
TTB6RPG49C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Cyclohexanedione, 2-methyl-2-(3-oxopentyl)-
Preferred Name English
2-Methyl-2-(3-oxopentyl)cyclohexan-1,3-dione
Systematic Name English
2-methyl-2-(3-oxopentyl)-1,3-cyclohexanedione
Systematic Name English
Code System Code Type Description
PUBCHEM
9437047
Created by admin on Wed Apr 02 05:41:49 GMT 2025 , Edited by admin on Wed Apr 02 05:41:49 GMT 2025
PRIMARY
CAS
57440-68-3
Created by admin on Wed Apr 02 05:41:49 GMT 2025 , Edited by admin on Wed Apr 02 05:41:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID50429444
Created by admin on Wed Apr 02 05:41:49 GMT 2025 , Edited by admin on Wed Apr 02 05:41:49 GMT 2025
PRIMARY
FDA UNII
TTB6RPG49C
Created by admin on Wed Apr 02 05:41:49 GMT 2025 , Edited by admin on Wed Apr 02 05:41:49 GMT 2025
PRIMARY