Structure Database (LMSD)
Common Name
cis-Jasmone
Systematic Name
3-methyl-2-(pent-2Z-enyl)cyclopent-2-enone
Synonyms
3D model of cis-Jasmone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
XMLSXPIVAXONDL-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
SMILES (Click to copy)
C1(C/C=C\CC)C(=O)CCC=1C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
187.37
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
3.02
Molar Refractivity
50.99
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Created at
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Updated at
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