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Details

Stereochemistry RACEMIC
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPULEGONE, (±)-

SMILES

C[C@H]1CC[C@H](C(C)=C)C(=O)C1

InChI

InChIKey=RMIANEGNSBUGDJ-DTWKUNHWSA-N
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H16O
Molecular Weight 152.2334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:16:43 GMT 2023
Edited
by admin
on Sat Dec 16 10:16:43 GMT 2023
Record UNII
681XD66YSR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPULEGONE, (±)-
Common Name English
(±)-ISOPULEGONE
Common Name English
CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHENYL)-, (2R,5S)-REL-
Systematic Name English
REL-(2R,5S)-5-METHYL-2-(1-METHYLETHENYL)CYCLOHEXANONE
Common Name English
P-MENTH-8-EN-3-ONE, TRANS-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
249-725-6
Created by admin on Sat Dec 16 10:16:43 GMT 2023 , Edited by admin on Sat Dec 16 10:16:43 GMT 2023
PRIMARY
PUBCHEM
6432305
Created by admin on Sat Dec 16 10:16:43 GMT 2023 , Edited by admin on Sat Dec 16 10:16:43 GMT 2023
PRIMARY
FDA UNII
681XD66YSR
Created by admin on Sat Dec 16 10:16:43 GMT 2023 , Edited by admin on Sat Dec 16 10:16:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID101318152
Created by admin on Sat Dec 16 10:16:43 GMT 2023 , Edited by admin on Sat Dec 16 10:16:43 GMT 2023
PRIMARY
CAS
29606-79-9
Created by admin on Sat Dec 16 10:16:43 GMT 2023 , Edited by admin on Sat Dec 16 10:16:43 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE