Structure database (LMSD)

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LM IDLMFA07010470
Common NameMethyl hexadecanoate
Systematic NameMethyl hexadecanoate
SynonymsWE(1:0/16:0)
Exact Mass
270.2559 (neutral)    Calculate m/z:
FormulaC17H34O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID8181
KEGG IDC16995
HMDB IDHMDB0061859
CHEBI ID69187
CAYMAN ID10007358
InChIKeyFLIACVVOZYBSBS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
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SMILES
O=C(CCCCCCCCCCCCCCC)OC
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
317.60Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP5.64Molar
Refractivity
82.33