Structure Database (LMSD)

Common Name
Methyl 14-methyl-8E-hexadecenoate
Systematic Name
Methyl 14-methyl-8E-hexadecenoate
Synonyms
  • WE(1:0/16:1(8E)(14Me))
LM ID
LMFA07010498
Formula
C18H34O2
Exact Mass
Calculate m/z
282.25588
Sum Composition
SFE 18:1
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]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
KXKSZSXMFYJWFU-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h5,7,17H,4,6,8-16H2,1-3H3/b7-5+
SMILES (Click to copy)
O=C(CCCCCC/C=C/CCCCC(C)CC)OC

Other Databases

CHEBI ID
196175
PubChem CID
6436648

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.66
Molar Refractivity 86.78

Admin

Created at
-
Updated at
6th Jun 2022