Structure Database (LMSD)
Common Name
(-)-Isopiperitenone
Systematic Name
Synonyms
3D model of (-)-Isopiperitenone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
SEZLYIWMVRUIKT-SECBINFHSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@H]1(C(=C)C)CCC(C)=CC1=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
170.07
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.49
Molar Refractivity
46.30
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Created at
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Updated at
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