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ScientificNameLabel
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(3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
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| PHCD compound ID : |
2801
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| Chemical Names : |
(3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
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| Molecular Formula : |
C16H26
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| Molecular Weight : |
218.203451
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More Details :
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| Names & Synonyms: |
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
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| Smiles: |
C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
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| InChi : |
InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+
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| InChi Key : |
InChIKey=CWLVBFJCJXHUCF-RNPYNJAESA-N
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| PubChem ID : |
6443227
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| Rotatable bond count : |
7
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.839740
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.054
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| XLogP : |
6.186
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VDW volume : |
274.746378
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| Molecular weight : |
218.203451
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HOMO-LUMO gap : |
9.273000
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