Structure Database (LMSD)
Common Name
Pinocarvone
Systematic Name
Synonyms
3D model of Pinocarvone
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)
TZDMGBLPGZXHJI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3
SMILES (Click to copy)
C12C(=C)C(CC(C1)C2(C)C)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
3
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
156.55
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.18
Molar Refractivity
44.14
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Created at
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Updated at
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