Structure Database (LMSD)

O O
Common Name
Methyl 14-methyl-8-hexadecenoate
Systematic Name
Methyl 14-methyl-8-hexadecenoate
Synonyms
  • WE(1:0/16:1(8)(14Me))
LM ID
LMFA07010527
Formula
C18H36O2
Exact Mass
Calculate m/z
284.27153
Sum Composition
SFE 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
AOAFVSVYRSUDBN-UHFFFAOYSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
O=C(CCCCCCCCCCCCC(C)CC)OC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
520159
Cayman ID
24821

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.89
Molar Refractivity 86.88

Admin

Created at
-
Updated at
6th Jun 2022