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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate , acetic acid [(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester , [(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate
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| Smiles: |
C/C(=C\CC/C(=C\COC(=O)C)/C)/CCC=C(C)C
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| InChi : |
InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12-
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| InChi Key : |
InChIKey=ZGIGZINMAOQWLX-HDVIWIBHSA-N
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| PubChem ID : |
1551480
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| Rotatable bond count : |
9
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
8.834094
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.891
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| XLogP : |
5.086
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VDW volume : |
309.622816
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| Molecular weight : |
264.20893
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HOMO-LUMO gap : |
9.787000
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| Herb list : |
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| Refrences & Litretures: |
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