Structure Database (LMSD)

Common Name
Cucujolide II
Systematic Name
3Z-Dodecen-11R-olide
Synonyms
LM ID
LMFA07040033
Status
Active
Exact Mass
Calculate m/z
196.14633
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)
IIBFPGGSICFOHJ-BPOWMSRESA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h6,8,11H,2-5,7,9-10H2,1H3/b8-6-/t11-/m1/s1
SMILES (Click to copy)
C1(O[C@H](C)CCCCCCC=CC1)=O

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 216.10
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.50
Molar Refractivity 57.53

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Created at
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Updated at
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