Structure Database (LMSD)
Common Name
5-Acetoxy-tetradeca-2E,4E,6E-trienoic acid
Systematic Name
5-Acetoxy-2E,4E,6E-tetradecatrienoic acid
Synonyms
- 5-Acetoxy-tetradeca-2,4,6-trienoic acid, (E,E,E)-
LM ID
LMFA01050551
Formula
Exact Mass
Calculate m/z
280.16746
Sum Composition
Status
Active
3D model of 5-Acetoxy-tetradeca-2E,4E,6E-trienoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YQFHNRBXJBNOLE-HBCXVKFPSA-N
InChi (Click to copy)
InChI=1S/C16H24O4/c1-3-4-5-6-7-8-9-11-15(20-14(2)17)12-10-13-16(18)19/h9-13H,3-8H2,1-2H3,(H,18,19)/b11-9+,13-10+,15-12-
SMILES (Click to copy)
C(/C=C/C=C(\OC(=O)C)/C=C/CCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
307.32
Topological Polar Surface Area
63.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
3.99
Molar Refractivity
79.14
Admin
Created at
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Updated at
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