Structure Database (LMSD)

O O
Common Name
4E,6Z-Hexadecadienyl acetate
Systematic Name
4E,6Z-Hexadecadienyl acetate
Synonyms
LM ID
LMFA07010357
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
SFE 18:2
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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
HCQKUIBZXJOAOA-RCWDKCQFSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h11-14H,3-10,15-17H2,1-2H3/b12-11-,14-13+
SMILES (Click to copy)
O(C(=O)C)CCC/C=C/C=C\CCCCCCCCC

References

Comments
Pherobase

Other Databases

PubChem CID
44256553

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.87
Molar Refractivity 87.25

Admin

Created at
-
Updated at
6th Jun 2022