Structure database (LMSD)

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LM IDLMFA07010623
Common Name(Z)-3,7-Dimethyl-2,6-octadienyl formate
Systematic Name(Z)-3,7-Dimethyl-2,6-octadienyl formate
SynonymsWE(8:2(2Z,6E)(3Me,7Me)/1:0)
Exact Mass
182.1307 (neutral)    Calculate m/z:
FormulaC11H18O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
AbbrevWE 11:2
PubChem CID5354882
HMDB IDHMDB0035156
InChIKeyFQMZVFJYMPNUCT-XFFZJAGNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
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SMILES
O=COC/C=C(/C)\CC/C=C(\C)/C
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
208.52Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.14Molar
Refractivity
54.93