Structure Database (LMSD)

O O
Common Name
3Z,5E-Tetradecadienyl acetate
Systematic Name
3Z,5E-Tetradecadienyl acetate
Synonyms
LM ID
LMFA07010318
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
SFE 16:2
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)
XXIIMWWMOJXDLK-MRBUWEIXSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h10-13H,3-9,14-15H2,1-2H3/b11-10+,13-12-
SMILES (Click to copy)
O(C(=O)C)CC/C=C\C=C\CCCCCCCC

References

Comments
Pherobase

Other Databases

PubChem CID
13245321

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.09
Molar Refractivity 78.01

Admin

Created at
-
Updated at
6th Jun 2022