Structure Database (LMSD)

Common Name
Lauryl laurate
Systematic Name
dodecanyl dodecanoate
Synonyms
  • WE(12:0/12:0)
  • dodecyl dodecanoate
LM ID
LMFA07010031
Formula
C24H48O2
Exact Mass
Calculate m/z
368.36543
Sum Composition
WE 24:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Structural characterization of wax esters by electron ionization mass spectrometry.,
J Lipid Res, 2012
Pubmed ID: 22058425

String Representations

InChiKey (Click to copy)
CYUUZGXOQDCCGH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OCCCCCCCCCCCC

Other Databases

CHEBI ID
141061
PubChem CID
84113

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 438.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.66
Molar Refractivity 115.14

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Updated at
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