Structure Database (LMSD)
Common Name
(+)-7-epi--9,10-dihydrojasmonic acid
Systematic Name
(1S,2R)-3-oxo-2-pentyl-cyclopentaneacetic acid
Synonyms
3D model of (+)-7-epi--9,10-dihydrojasmonic acid
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)
PQEYTAGBXNEUQL-VHSXEESVSA-N
InChi (Click to copy)
InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10+/m0/s1
SMILES (Click to copy)
C(O)(=O)C[C@H]1[C@@H](CCCCC)C(=O)CC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
224.89
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.64
Molar Refractivity
57.62
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Created at
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Updated at
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