Structure database (LMSD)

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LM IDLMFA07010489
Common NameMethyl 7-oxo-11E-tetradecenoate
Systematic NameMethyl 7-oxo-11E-tetradecenoate
SynonymsWE(1:0/14:1(11E)(7Ke))
Exact Mass
254.1882 (neutral)    Calculate m/z:
FormulaC15H26O3
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106]
PubChem CID56935977
InChIKeyVXYDRFPPIDYAPI-SNAWJCMRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H26O3/c1-3-4-5-6-8-11-14(16)12-9-7-10-13-15(17)18-2/h4-5H,3,6-13H2,1
-2H3/b5-4+
SMILESO=C(CCCCCC(=O)CCC/C=C/CC)OC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
286.51Topological Polar
Surface Area
43.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP3.82Molar
Refractivity
73.39