Structure Database (LMSD)

O O
Common Name
Cucujolide IV
Systematic Name
3Z,6Z-Dodecadien-11R-olide
Synonyms
LM ID
LMFA07040036
Formula
C12H18O2
Exact Mass
Calculate m/z
194.13068
Sum Composition
FA 12:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
FAMIQKMUIARKKU-GTHUGJSGSA-N
InChi (Click to copy)
InChI=1S/C12H18O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h2-3,6,8,11H,4-5,7,9-10H2,1H3/b3-2-,8-6-/t11-/m1/s1
SMILES (Click to copy)
C1(O[C@H](C)CCCC=CCC=CC1)=O

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
176374
PubChem CID
56936046

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 213.46
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.28
Molar Refractivity 57.43

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Created at
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Updated at
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