Structure Database (LMSD)

Common Name
4-methyl-11-dodecanolide
Systematic Name
4-methyl-11-dodecanolide
Synonyms
LM ID
LMFA07040183
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
FA 13:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

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

String Representations

InChiKey (Click to copy)
FEKGDTPWZRUESH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-11-7-5-3-4-6-8-12(2)15-13(14)10-9-11/h11-12H,3-10H2,1-2H3
SMILES (Click to copy)
C1(OC(C)CCCCCCC(C)CC1)=O

Other Databases

PubChem CID
162413653

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
1st Apr 2022