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ScientificNameLabel
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(E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene
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| PHCD compound ID : |
3849
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| Chemical Names : |
(E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene
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| Molecular Formula : |
C20H32
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| Molecular Weight : |
272.250401
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More Details :
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| Names & Synonyms: |
(3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene
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| Smiles: |
C=C/C(=C/C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C
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| InChi : |
InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11-12,14-15H,1,8-10,13,16H2,2-6H3/b18-12+,19-15+,20-14+
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| InChi Key : |
InChIKey=KFHRKQVLZRJWNB-OBHWEXPVSA-N
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| PubChem ID : |
5365883
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| Rotatable bond count : |
9
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.886528
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.066
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| XLogP : |
7.958
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VDW volume : |
341.293858
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| Molecular weight : |
272.250401
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HOMO-LUMO gap : |
9.562000
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