Structure Database (LMSD)

Common Name
R-cucujolide III
Systematic Name
5Z-Tetradecen-13R-olide
Synonyms
LM ID
LMFA07040047
Status
Active
Exact Mass
Calculate m/z
224.17763
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)
UNYFVMZKRMXDRF-RYWCDNDXSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h4,6,13H,2-3,5,7-12H2,1H3/b6-4-/t13-/m1/s1
SMILES (Click to copy)
C1(O[C@H](C)CCCCCCC=CCCC1)=O

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 250.70
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.29
Molar Refractivity 66.76

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Created at
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Updated at
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