Structure Database (LMSD)
Common Name
(E,E)-2,4-Decadienoic isobutylamide
Systematic Name
(2E,4Z)-N-(2-methylpropyl)deca-2,4-dienamide
Synonyms
3D model of (E,E)-2,4-Decadienoic isobutylamide
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)
MAGQQZHFHJDIRE-QNRZBPGKSA-N
InChi (Click to copy)
InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8-,11-10+
SMILES (Click to copy)
CCCCC/C=C\C=C\C(NCC(C)C)=O
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
262.63
Topological Polar Surface Area
29.10
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
3.74
Molar Refractivity
70.76
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Created at
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Updated at
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