Structure database (LMSD)

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LM IDLMFA07010625
Common Name(Z)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate
Systematic Name(Z)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate
SynonymsWE(8:2(2Z,6E)(3Me,7Me)/4:0(3Me))
Exact Mass
238.1933 (neutral)    Calculate m/z:
FormulaC15H26O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
PubChem CID6429039
HMDB IDHMDB0029350
InChIKeySOUKTGNMIRUIQN-ZROIWOOFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-
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SMILES
O=C(CC(C)C)OC/C=C(/C)\CC/C=C(\C)/C
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
277.72Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.55Molar
Refractivity
73.33