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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14O
Molecular Weight 150.2176
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isopiperitenone, (R)-

SMILES

CC(=C)[C@H]1CCC(C)=CC1=O

InChI

InChIKey=SEZLYIWMVRUIKT-SECBINFHSA-N
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H14O
Molecular Weight 150.2176
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:17:07 GMT 2025
Edited
by admin
on Wed Apr 02 19:17:07 GMT 2025
Record UNII
5TFW2G4YHA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isopiperitenone, (R)-
Common Name English
(-)-(4R)-Isopiperitenone
Preferred Name English
(6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-one
Systematic Name English
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-, (6R)-
Systematic Name English
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-, (R)-
Systematic Name English
(-)-Isopiperitenone
Common Name English
Code System Code Type Description
CAS
80995-97-7
Created by admin on Wed Apr 02 19:17:07 GMT 2025 , Edited by admin on Wed Apr 02 19:17:07 GMT 2025
PRIMARY
FDA UNII
5TFW2G4YHA
Created by admin on Wed Apr 02 19:17:07 GMT 2025 , Edited by admin on Wed Apr 02 19:17:07 GMT 2025
PRIMARY
PUBCHEM
439733
Created by admin on Wed Apr 02 19:17:07 GMT 2025 , Edited by admin on Wed Apr 02 19:17:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID501001686
Created by admin on Wed Apr 02 19:17:07 GMT 2025 , Edited by admin on Wed Apr 02 19:17:07 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
RACEMATE -> ENANTIOMER