Structure Database (LMSD)

Common Name
7E,10-undecadien-4-olide
Systematic Name
7E,10-undecadien-4-olide
Synonyms
  • (E)-5-(3,6-heptadienyl)-dihydro-2(3H)-furanone
LM ID
LMFA07040065
Formula
C11H16O2
Exact Mass
Calculate m/z
180.11503
Sum Composition
FA 11:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
HJDZYWXQLPUPGM-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C11H16O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h2,4-5,10H,1,3,6-9H2/b5-4+
SMILES (Click to copy)
O1C(CC/C=C/CC=C)CCC1=O

Other Databases

CHEBI ID
184456
PubChem CID
11974181

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 196.16
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.89
Molar Refractivity 52.81

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Created at
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Updated at
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