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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O4
Molecular Weight 238.2796
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3,5-dioxo-1-cyclopentene-1-heptanoate

SMILES

COC(=O)CCCCCCC1=CC(=O)CC1=O

InChI

InChIKey=PBUHSBIZFFEOFM-UHFFFAOYSA-N
InChI=1S/C13H18O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8H,2-7,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H18O4
Molecular Weight 238.2796
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 Tue Apr 01 16:26:32 GMT 2025
Edited
by admin
on Tue Apr 01 16:26:32 GMT 2025
Record UNII
T8PFM9EVT2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 3,5-dioxo-1-cyclopentene-1-heptanoate
Systematic Name English
1-Cyclopentene-1-heptanoic acid, 3,5-dioxo-, methyl ester
Preferred Name English
Code System Code Type Description
FDA UNII
T8PFM9EVT2
Created by admin on Tue Apr 01 16:26:32 GMT 2025 , Edited by admin on Tue Apr 01 16:26:32 GMT 2025
PRIMARY
CAS
91411-01-7
Created by admin on Tue Apr 01 16:26:32 GMT 2025 , Edited by admin on Tue Apr 01 16:26:32 GMT 2025
PRIMARY
PUBCHEM
23240957
Created by admin on Tue Apr 01 16:26:32 GMT 2025 , Edited by admin on Tue Apr 01 16:26:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID40631478
Created by admin on Tue Apr 01 16:26:32 GMT 2025 , Edited by admin on Tue Apr 01 16:26:32 GMT 2025
PRIMARY