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ScientificNameLabel
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(E,E)-3,7,11-Trimethyl-7,10-epoxydodeca-2,5,11-trien-1-yl acetate
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| PHCD compound ID : |
1450
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| Chemical Names : |
(E,E)-3,7,11-Trimethyl-7,10-epoxydodeca-2,5,11-trien-1-yl acetate
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| Molecular Formula : |
C17H26O3
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| Molecular Weight : |
278.188195
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More Details :
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| Names & Synonyms: |
[(2E,5E)-6-(5-isopropenyl-2-methyl-tetrahydrofuran-2-yl)-3-methyl-hexa-2,5-dienyl] acetate , acetic acid [(2E,5E)-3-methyl-6-[2-methyl-5-(1-methylethenyl)-2-oxolanyl]hexa-2,5-dienyl] ester , [(2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dienyl] acetate , [(2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yl-oxolan-2-yl)hexa-2,5-dienyl] ethanoate , acetic acid [(2E,5E)-6-(5-isopropenyl-2-methyl-tetrahydrofuran-2-yl)-3-methyl-hexa-2,5-dienyl] ester
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| Smiles: |
C/C(=C\COC(=O)C)/C/C=C/[C@@]1(C)CC[C@H](O1)C(=C)C
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| InChi : |
InChI=1S/C17H26O3/c1-13(2)16-8-11-17(5,20-16)10-6-7-14(3)9-12-19-15(4)18/h6,9-10,16H,1,7-8,11-12H2,2-5H3/b10-6+,14-9+/t16-,17-/m0/s1
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| InChi Key : |
InChIKey=UJWIEJULEWRZEG-MGOQHNDKSA-N
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| PubChem ID : |
6429052
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| Rotatable bond count : |
7
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
9.562518
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.409
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| XLogP : |
2.959
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VDW volume : |
306.056584
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| Molecular weight : |
278.188195
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HOMO-LUMO gap : |
10.116000
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| Herb list : |
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| Refrences & Litretures: |
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