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ScientificNameLabel
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2,4-Dodecadienoic acid,11-methoxy-3,7,11-trimethyl-,methyl ester, (E,E)-
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| PHCD compound ID : |
1239
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| Chemical Names : |
2,4-Dodecadienoic acid,11-methoxy-3,7,11-trimethyl-,methyl ester, (E,E)-
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| Molecular Formula : |
C17H30O3
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| Molecular Weight : |
282.219495
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More Details :
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| Names & Synonyms: |
methyl (2E,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienoate , (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid methyl ester , methyl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate , (2E,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienoic acid methyl ester
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| Smiles: |
COC(=O)/C=C(/C=C/C[C@H](CCCC(OC)(C)C)C)\C
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| InChi : |
InChI=1S/C17H30O3/c1-14(11-8-12-17(3,4)20-6)9-7-10-15(2)13-16(18)19-5/h7,10,13-14H,8-9,11-12H2,1-6H3/b10-7+,15-13+/t14-/m1/s1
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| InChi Key : |
InChIKey=CKWNMUMZTLDHQL-SIPCROHCSA-N
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| PubChem ID : |
5366558
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| Rotatable bond count : |
10
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
9.661265
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
3.884
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| XLogP : |
5.022
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VDW volume : |
321.049501
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| Molecular weight : |
282.219495
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HOMO-LUMO gap : |
9.412000
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| Herb list : |
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| Refrences & Litretures: |
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