Structure Database (LMSD)

Common Name
WE 12:0/11:0
Systematic Name
dodecyl undecanoate
Synonyms
  • WE(12:0/11:0)
LM ID
LMFA07010462
Formula
C23H46O2
Exact Mass
Calculate m/z
354.349781
Sum Composition
WE 23:0
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
Notoncus ectatommoides (#613365)
Insecta (#50557)
Volatile constituents of two species of Australian formicine ants of the genera Notoncus and Polyrhachis,
Insect Biochem, 1982

String Representations

InChiKey (Click to copy)
MCUFLKKUIDNRMB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H46O2/c1-3-5-7-9-11-13-14-16-18-20-22-25-23(24)21-19-17-15-12-10-8-6-4-2/h3-22H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCC)OCCCCCCCCCCCC

Other Databases

PubChem CID
56935973

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 421.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.27
Molar Refractivity 110.52

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Created at
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Updated at
20th Jan 2025