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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMENTHONE, (+)-

SMILES

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

InChI

InChIKey=NFLGAXVYCFJBMK-RKDXNWHRSA-N
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
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 15:16:59 UTC 2023
Edited
by admin
on Sat Dec 16 15:16:59 UTC 2023
Record UNII
3S2W18YHP6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMENTHONE, (+)-
Common Name English
(1R,4R)-P-MENTH-3-ONE
Common Name English
D-ISOMENTHONE
Common Name English
ISOMENTHONE, D-
Common Name English
CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHYL)-, (2R,5R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
70962
Created by admin on Sat Dec 16 15:17:00 UTC 2023 , Edited by admin on Sat Dec 16 15:17:00 UTC 2023
PRIMARY
ECHA (EC/EINECS)
214-813-5
Created by admin on Sat Dec 16 15:17:00 UTC 2023 , Edited by admin on Sat Dec 16 15:17:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID00101595
Created by admin on Sat Dec 16 15:17:00 UTC 2023 , Edited by admin on Sat Dec 16 15:17:00 UTC 2023
PRIMARY
FDA UNII
3S2W18YHP6
Created by admin on Sat Dec 16 15:17:00 UTC 2023 , Edited by admin on Sat Dec 16 15:17:00 UTC 2023
PRIMARY
CHEBI
36492
Created by admin on Sat Dec 16 15:17:00 UTC 2023 , Edited by admin on Sat Dec 16 15:17:00 UTC 2023
PRIMARY
CAS
1196-31-2
Created by admin on Sat Dec 16 15:17:00 UTC 2023 , Edited by admin on Sat Dec 16 15:17:00 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER