Structure Database (LMSD)

Common Name
WE 12:0/8:0
Systematic Name
dodecyl octanoate
Synonyms
  • WE(12:0/8:0)
LM ID
LMFA07010451
Formula
C20H40O2
Exact Mass
Calculate m/z
312.302831
Sum Composition
WE 20:0
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]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Andrenidae (#48719)
Insecta (#50557)
Chemistry of the Dufour's gland secretions of North American andrenid bees (Hymenoptera: Andrenidae).,
J Chem Ecol, 1981
Pubmed ID: 24420491

String Representations

InChiKey (Click to copy)
OYQTUTLMOLEYNR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h3-19H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCC)OCCCCCCCCCCCC

Other Databases

CHEBI ID
179718
PubChem CID
88472

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 369.50
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.10
Molar Refractivity 96.67

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Created at
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Updated at
21st Jan 2025