Structure Database (LMSD)

Common Name
dodecyl decanoate
Systematic Name
dodecyl decanoate
Synonyms
  • WE(12:0/10:0)
LM ID
LMFA07010459
Formula
C22H44O2
Exact Mass
Calculate m/z
340.33413
Sum Composition
WE 22:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cataglyphis bicolor (#299895)
Insecta (#50557)
Dufour gland contents of ants of the Cataglyphis bicolor group.,
J Chem Ecol, 2002
Pubmed ID: 11868680

String Representations

InChiKey (Click to copy)
MNOODXPYABBZMC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/c1-3-5-7-9-11-12-13-15-17-19-21-24-22(23)20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCC)OCCCCCCCCCCCC

Other Databases

CHEBI ID
196303
PubChem CID
162504

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 404.10
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.88
Molar Refractivity 105.90

Admin

Created at
-
Updated at
4th Apr 2022