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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1R,3aR,5aR,9aS)-1,4,4,7-tetramethyl-2,3,3a,5a,8,9-hexahydro-1H-cyclopenta[c]benzofuran , (1R,3aR,5aR,9aS)-1,4,4,7-tetramethyl-2,3,3a,5a,8,9-hexahydro-1H-cyclopenta[c][1]benzofuran
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| Smiles: |
CC1=C[C@@H]2[C@@]3(CC1)[C@H](C)CC[C@H]3C(O2)(C)C
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| InChi : |
InChI=1S/C15H24O/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)16-13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11-,12+,13-,15+/m1/s1
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| InChi Key : |
InChIKey=JGKMDLIITSKWAD-COMQUAJESA-N
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| PubChem ID : |
91747164
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.304296
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.272
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| XLogP : |
3.988
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VDW volume : |
237.08062
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| Molecular weight : |
220.182715
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HOMO-LUMO gap : |
10.541000
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| Herb list : |
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| Refrences & Litretures: |
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