Structure Database (LMSD)

Common Name
WE 12:0/12:0(10Me)
Systematic Name
dodecyl 10-methyl-dodecanoate
Synonyms
  • WE(12:0/12:0(10Me))
LM ID
LMFA07010484
Formula
C25H50O2
Exact Mass
Calculate m/z
382.381081
Sum Composition
WE 25:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

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)
BJILWAAYHASFCQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O2/c1-4-6-7-8-9-10-11-14-17-20-23-27-25(26)22-19-16-13-12-15-18-21-24(3)5-2/h24H,4-23H2,1-3H3
SMILES (Click to copy)
O=C(CCCCCCCCC(C)CC)OCCCCCCCCCCCC

Other Databases

PubChem CID
56935974

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 456.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.90
Molar Refractivity 119.68

Admin

Created at
-
Updated at
20th Jan 2025