Structure Database (LMSD)

Common Name
Isopropyl 9Z-hexadecenoate
Systematic Name
Isopropyl 9Z-hexadecenoate
Synonyms
  • WE(2:0(1Me)/16:1(9Z))
LM ID
LMFA07010670
Formula
C19H36O2
Exact Mass
Calculate m/z
296.27153
Sum Composition
SFE 19:1
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

String Representations

InChiKey (Click to copy)
VGLJNQYCGDBABV-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h9-10,18H,4-8,11-17H2,1-3H3/b10-9-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OC(C)C

Other Databases

CHEBI ID
196569
PubChem CID
5352859

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 349.56
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.48
Molar Refractivity 91.96

Admin

Created at
-
Updated at
6th Jun 2022