Structure Database (LMSD)

Common Name
Methyl 7E-hexadecenoate
Systematic Name
Methyl 7E-hexadecenoate
Synonyms
  • WE(1:0/16:1(7E))
LM ID
LMFA07010495
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 Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
FXCDESKKWMGGON-ZHACJKMWSA-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/h10-11H,3-9,12-16H2,1-2H3/b11-10+
SMILES (Click to copy)
O=C(CCCCC/C=C/CCCCCCCC)OC

Other Databases

CHEBI ID
196103
PubChem CID
5364431

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