Structure Database (LMSD)
Common Name
5Z,9Z,12E-octadecatrienoic acid
Systematic Name
5Z,9Z,12E-octadecatrienoic acid
Synonyms
- C18:3n-6,9,13
3D model of 5Z,9Z,12E-octadecatrienoic 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
Reactions
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String Representations
InChiKey (Click to copy)
HXQHFNIKBKZGRP-RLCBDCDRSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6+,10-9-,14-13-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\C/C=C/CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
326.98
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.66
Molar Refractivity
86.90
Admin
Created at
-
Updated at
25th Apr 2022