Structure database (LMSD)

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LM IDLMFA07010471
Common Nameethyl hexadecanoate
Systematic Nameethyl hexadecanoate
SynonymsWE(2:0/16:0)
Exact Mass
284.2715 (neutral)    Calculate m/z:
FormulaC18H36O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID12366
HMDB IDHMDB0029811
CAYMAN ID10008202
InChIKeyXIRNKXNNONJFQO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-
2H3
SMILESO=C(CCCCCCCCCCCCCCC)OCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
334.90Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP6.32Molar
Refractivity
87.44