Structure Database (LMSD)
Common Name
16-methyl-6Z,9Z,12Z-heptadecatrienoic acid
Systematic Name
16-methyl-6Z,9Z,12Z-heptadecatrienoic acid
Synonyms
3D model of 16-methyl-6Z,9Z,12Z-heptadecatrienoic 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)
KGQONBKICZUGHP-LJFLDRDWSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5-6,8-9,11,17H,4,7,10,12-16H2,1-2H3,(H,19,20)/b5-3-,8-6-,11-9-
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\C/C=C\CCC(C)C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
326.98
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.52
Molar Refractivity
86.83
Admin
Created at
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Updated at
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