Structure database (LMSD)

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LM IDLMFA07010626
Common Name(Z)-3,7-Dimethyl-2,6-octadienyl butyrate
Systematic Name(Z)-3,7-Dimethyl-2,6-octadienyl butyrate
SynonymsWE(8:2(2Z,6E)(3Me,7Me)/4:0)
Exact Mass
224.1776 (neutral)    Calculate m/z:
FormulaC14H24O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
PubChem CID5352162
HMDB IDHMDB0038259
InChIKeyZSBOMYJPSRFZAL-RAXLEYEMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H
3/b13-10-
SMILESO=C(CCC)OC/C=C(/C)\CC/C=C(\C)/C
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
260.42Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.31Molar
Refractivity
68.78