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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2E,4Z,8Z,10E)-N-isobutyldodeca-2,4,8,10-tetraenamide , (2E,4Z,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide , (2E,4Z,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
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| Smiles: |
C/C=C/C=C\CC/C=C\C=C\C(=O)NCC(C)C
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| InChi : |
InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4+,7-6-,11-10-,13-12+
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| InChi Key : |
InChIKey=VLGRWXYRKYWRPX-FFCXAGQXSA-N
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| PubChem ID : |
5367635
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| Rotatable bond count : |
9
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
8.737970
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.940
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| XLogP : |
4.752
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VDW volume : |
291.896906
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| Molecular weight : |
247.193614
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HOMO-LUMO gap : |
8.301000
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| Herb list : |
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| Refrences & Litretures: |
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