Structure Database (LMSD)

Common Name
Methyl 8Z-hexadecenoate
Systematic Name
Methyl 8Z-hexadecenoate
Synonyms
  • WE(1:0/16:1(8Z))
LM ID
LMFA07010499
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
SFE 17:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Piezodorus hybneri (#1175637)
Insecta (#50557)
Male-Released Sex Pheromone of the Stink Bug Piezodorus hybneri,
J Chem Ecol, 1998

String Representations

InChiKey (Click to copy)
TXRBMMXPRSSDNL-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h9-10H,3-8,11-16H2,1-2H3/b10-9-
SMILES (Click to copy)
O=C(CCCCCC/C=C\CCCCCCC)OC

Other Databases

CHEBI ID
196102
PubChem CID
11196454

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.42
Molar Refractivity 82.23

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Created at
-
Updated at
6th Jun 2022