Structure database (LMSD)

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LM IDLMFA07010501
Common NameMethyl 9Z-hexadecenoate
Systematic NameMethyl 9Z-hexadecenoate
SynonymsWE(1:0/16:1(9Z))
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID643801
CHEBI ID84156
CAYMAN ID20605
InChIKeyIZFGRAGOVZCUFB-HJWRWDBZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
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SMILES
O=C(CCCCCCC/C=C\CCCCCC)OC
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
314.96Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP5.42Molar
Refractivity
82.23