Structure database (LMSD)

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LM IDLMFA07010031
Common NameLauryl laurate
Systematic Namedodecanyl dodecanoate
SynonymsWE(12:0/12:0); dodecyl dodecanoate
Exact Mass
368.3654 (neutral)    Calculate m/z:
FormulaC24H48O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID84113
InChIKeyCYUUZGXOQDCCGH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESO=C(CCCCCCCCCCC)OCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
ReferencesStructural characterization of wax esters by electron ionization mass spectrometry
Klara Urbanova, Vladimir Vrkoslav, Irena Valterova, Martina Hakova, and Josef Cvacka
J. Lipid Res. 53:(1) 204-213 (2012)
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
438.70Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP8.66Molar
Refractivity
115.14