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

Details

Stereochemistry RACEMIC
Molecular Formula C7H14O2
Molecular Weight 130.1849
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXY-5-METHYL-2-HEXANONE

SMILES

CC(CO)CCC(C)=O

InChI

InChIKey=LTKDRWVSUUCKAG-UHFFFAOYSA-N
InChI=1S/C7H14O2/c1-6(5-8)3-4-7(2)9/h6,8H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H14O2
Molecular Weight 130.1849
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 Wed Apr 02 01:27:51 GMT 2025
Edited
by admin
on Wed Apr 02 01:27:51 GMT 2025
Record UNII
BG740339BS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HEXANONE, 6-HYDROXY-5-METHYL-
Preferred Name English
6-HYDROXY-5-METHYL-2-HEXANONE
Systematic Name English
TETRAHYDRO-2,5-DIMETHYL-2H-PYRAN-2-OL
Systematic Name English
Code System Code Type Description
CAS
68208-74-2
Created by admin on Wed Apr 02 01:27:51 GMT 2025 , Edited by admin on Wed Apr 02 01:27:51 GMT 2025
ALTERNATIVE
CAS
68208-73-1
Created by admin on Wed Apr 02 01:27:51 GMT 2025 , Edited by admin on Wed Apr 02 01:27:51 GMT 2025
PRIMARY
PUBCHEM
10877153
Created by admin on Wed Apr 02 01:27:51 GMT 2025 , Edited by admin on Wed Apr 02 01:27:51 GMT 2025
PRIMARY
FDA UNII
BG740339BS
Created by admin on Wed Apr 02 01:27:51 GMT 2025 , Edited by admin on Wed Apr 02 01:27:51 GMT 2025
PRIMARY