Structure Database (LMSD)

Common Name
11-Dodecanolide
Systematic Name
11-Dodecanolide
Synonyms
LM ID
LMFA07040038
Formula
C12H22O2
Exact Mass
Calculate m/z
198.16198
Sum Composition
FA 12:1
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]
Carbocyclic fatty acids [FA0114]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Gephyromantis moseri (#321758)
Amphibia (#8292)
A synthetic dodecanolide library for the identification of putative semiochemicals emitted by mantellid frogs,
Org. Biomol. Chem, 2017
Amauris damocles (#2746759)
Insecta (#50557)
Specific mixtures of secretions from male scent organs of African milkweed butterflies (Danainae),
Phil Trans Royal Soc B, 1993

String Representations

InChiKey (Click to copy)
IBLSRZGJYAOPLB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h11H,2-10H2,1H3
SMILES (Click to copy)
C1(OC(C)CCCCCCCCC1)=O

Other Databases

CHEBI ID
179197
PubChem CID
543499

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 218.74
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.73
Molar Refractivity 57.62

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Created at
-
Updated at
1st Apr 2022