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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one , (3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
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| Smiles: |
O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)CCCC1=C
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| InChi : |
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1
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| InChi Key : |
InChIKey=CVUANYCQTOGILD-QVHKTLOISA-N
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| PubChem ID : |
73285
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.818903
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
4.706
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| XLogP : |
3.681
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VDW volume : |
240.597929
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| Molecular weight : |
232.14633
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HOMO-LUMO gap : |
9.630000
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| Herb list : |
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| Refrences & Litretures: |
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