Structure Database (LMSD)

O O
Common Name
3Z,6Z,9Z-Octadecatrienyl acetate
Systematic Name
3Z,6Z,9Z-Octadecatrienyl acetate
Synonyms
LM ID
LMFA07010395
Formula
C20H34O2
Exact Mass
Calculate m/z
306.25588
Sum Composition
SFE 20:3
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)
BNPSOFTUHIKBRZ-NWFXIAEYSA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11,13-14,16-17H,3-9,12,15,18-19H2,1-2H3/b11-10-,14-13-,17-16-
SMILES (Click to copy)
O(C(=O)C)CC/C=C\C/C=C\C/C=C\CCCCCCCC

References

Comments
Pherobase

Other Databases

PubChem CID
44256557

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 361.58
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.42
Molar Refractivity 96.39

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Created at
-
Updated at
6th Jun 2022