Structure Database (LMSD)
Common Name
(R)-laballenic acid
Systematic Name
5R,6-octadecadienoic acid
Synonyms
- (-)-laballenic acid
- C18:2n-13
3D model of (R)-laballenic 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)
YXJXBVWHSBEPDQ-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12,14H,2-11,15-17H2,1H3,(H,19,20)/t13-/m0/s1
SMILES (Click to copy)
C(CCCCCCCCC)CC=[C@]=C([H])CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
329.62
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.87
Molar Refractivity
85.98
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Created at
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Updated at
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