Structure Database (LMSD)

Common Name
9-octadecen-4-olide
Systematic Name
9-octadecen-4-olide
Synonyms
LM ID
LMFA07040057
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
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)
MFJQEKNPFKHQHP-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(19)20-17/h9-10,17H,2-8,11-16H2,1H3/b10-9+
SMILES (Click to copy)
C1(OC(CCCC/C=C/CCCCCCCC)CC1)=O

Other Databases

CHEBI ID
187972
PubChem CID
5278449

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 319.90
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.85
Molar Refractivity 85.23

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Created at
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Updated at
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