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

Details

Stereochemistry RACEMIC
Molecular Formula C7H10O2
Molecular Weight 126.1531
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4,5-TRIMETHYL-2(5H)-FURANONE

SMILES

CC1OC(=O)C(C)=C1C

InChI

InChIKey=OSFZDFIHIYXIEL-UHFFFAOYSA-N
InChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h6H,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H10O2
Molecular Weight 126.1531
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:18:01 GMT 2025
Edited
by admin
on Tue Apr 01 20:18:01 GMT 2025
Record UNII
P1M5N4XS85
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4,5-TRIMETHYL-2(5H)-FURANONE
Systematic Name English
2(5H)-FURANONE, 3,4,5-TRIMETHYL-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID00432483
Created by admin on Tue Apr 01 20:18:01 GMT 2025 , Edited by admin on Tue Apr 01 20:18:01 GMT 2025
PRIMARY
PUBCHEM
9898826
Created by admin on Tue Apr 01 20:18:01 GMT 2025 , Edited by admin on Tue Apr 01 20:18:01 GMT 2025
PRIMARY
CAS
33488-51-6
Created by admin on Tue Apr 01 20:18:01 GMT 2025 , Edited by admin on Tue Apr 01 20:18:01 GMT 2025
PRIMARY
FDA UNII
P1M5N4XS85
Created by admin on Tue Apr 01 20:18:01 GMT 2025 , Edited by admin on Tue Apr 01 20:18:01 GMT 2025
PRIMARY