LIPID MAPS

Structure Database (LMSD)

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Common Name

6-methyl-11-dodecanolide

Systematic Name

6-methyl-11-dodecanolide

Synonyms

LM ID

LMFA07040184

Formula

C₁₃H₂₄O₂

Exact Mass

Calculate m/z

212.17763

Sum Composition

FA 13:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

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

DOI: 10.1039/C7OB00849J

String Representations

InChiKey (Click to copy)

FURGAOKUJKJCDL-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C13H24O2/c1-11-7-3-5-9-12(2)15-13(14)10-6-4-8-11/h11-12H,3-10H2,1-2H3

SMILES (Click to copy)

C1(OC(C)CCCCC(C)CCCC1)=O

Other Databases

PubChem CID

162413551

Calculated Physicochemical Properties

Heavy Atoms 15

Rings 1

Aromatic Rings

Rotatable Bonds

Van der Waals Molecular Volume 236.04

Topological Polar Surface Area 28.37

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 3.97

Molar Refractivity 62.17

Admin

Created at

1st Apr 2022

Updated at