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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2E,7E,11E)-4-isopropyl-1,7,11-trimethyl-cyclotetradeca-2,7,11-trien-1-ol , (2E,7E,11E)-1,7,11-trimethyl-4-propan-2-yl-1-cyclotetradeca-2,7,11-trienol , (2E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol , (2E,7E,11E)-1,7,11-trimethyl-4-propan-2-yl-cyclotetradeca-2,7,11-trien-1-ol
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| Smiles: |
C/C/1=C\CC/C(=C/CC[C@@](/C=C\[C@H](CC1)C(C)C)(C)O)/C
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| InChi : |
InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13-,17-10+,18-9+/t19-,20+/m0/s1
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| InChi Key : |
InChIKey=YAPXSYXFLHDPCK-WCFIVOFLSA-N
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| PubChem ID : |
5363523
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.039326
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
0.723
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| XLogP : |
6.414
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VDW volume : |
343.000543
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| Molecular weight : |
290.260966
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HOMO-LUMO gap : |
10.214000
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| Herb list : |
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| Refrences & Litretures: |
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