Structure Database (LMSD)

Common Name
11-Dodecanolide
Systematic Name
11-Dodecanolide
Synonyms
LM ID
LMFA07040038
Status
Active
Exact Mass
Calculate m/z
198.16198
Formula
C12H22O2
Abbrev
FA 12:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

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

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