Structure Database (LMSD)
Common Name
(+)-Piperitone
Systematic Name
(6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one
Synonyms
- D-piperitone
3D model of (+)-Piperitone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
YSTPAHQEHQSRJD-VIFPVBQESA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1
SMILES (Click to copy)
[C@@H]1(C(C)C)CCC(C)=CC1=O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
172.71
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.57
Molar Refractivity
46.33
Admin
Created at
-
Updated at
3rd Jan 2021