Structure Database (LMSD)
Common Name
Dendryphiellic acid A
Systematic Name
6S-methyl-2E,4E-octadienoic acid
Synonyms
- (2E,4E,-6S)-6-methyl-octa-2,4-di-enoic acid 18:2
3D model of Dendryphiellic acid A
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)
DNUJBTBPCOIYRL-QALPAXIDSA-N
InChi (Click to copy)
InChI=1S/C9H14O2/c1-3-8(2)6-4-5-7-9(10)11/h4-8H,3H2,1-2H3,(H,10,11)/b6-4+,7-5+/t8-/m0/s1
SMILES (Click to copy)
C(/C=C/C=C/[C@@H](C)CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
173.92
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.23
Molar Refractivity
45.37
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Created at
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Updated at
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