Structure database (LMSD)

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LM IDLMFA07010473
Common NameMethyl heptadecanoate
Systematic NameMethyl heptadecanoate
SynonymsWE(1:0/17:0)
Exact Mass
284.2715 (neutral)    Calculate m/z:
FormulaC18H36O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID15609
CHEBI ID136920
InChIKeyHUEBIMLTDXKIPR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
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SMILES
O=C(CCCCCCCCCCCCCCCC)OC
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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
 logP6.03Molar
Refractivity
86.95