Structure database (LMSD)

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LM IDLMFA07010527
Common NameMethyl 14-methyl-8-hexadecenoate
Systematic NameMethyl 14-methyl-8-hexadecenoate
SynonymsWE(1:0/16:1(8)(14Me))
Exact Mass
284.2715 (neutral)    Calculate m/z:
FormulaC18H36O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevWE 18:0
PubChem CID520159
CAYMAN ID24821
InChIKeyAOAFVSVYRSUDBN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H36O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3
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SMILES
O=C(CCCCCCCCCCCCC(C)CC)OC
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
334.90Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP5.89Molar
Refractivity
86.88