Structure Database (LMSD)
Common Name
(S)-laballenic acid
Systematic Name
5S,6-octadecadienoic acid
Synonyms
- (5S)-octadeca-5,6-dienoic acid
3D model of (S)-laballenic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YXJXBVWHSBEPDQ-CYBMUJFWSA-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-/m1/s1
SMILES (Click to copy)
CCCCCCCCCCCC=C=CCCCC(=O)O
References
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
Admin
Created at
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Updated at
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