Structure Database (LMSD)

Common Name
Methyl jasmonate
Systematic Name
methyl 2-((1R,2R)-3-oxo-2-pent-2Z-enyl)cyclopentyl)acetate
Synonyms
LM ID
LMFA02020010
Status
Active
Exact Mass
Calculate m/z
224.141245
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GEWDNTWNSAZUDX-WQMVXFAESA-N
InChi (Click to copy)
InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1
SMILES (Click to copy)
[C@H]1([C@@H](CC(=O)OC)CCC1=O)C/C=C\CC

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 239.55
Topological Polar Surface Area 43.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 2.50
Molar Refractivity 61.90

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Created at
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Updated at
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