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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1-[(1S,3aR,7S,7aS)-7-isopropyl-4-methylene-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone , 1-[(1S,3aR,7S,7aS)-4-methylene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone , 1-[(1S,3aR,7S,7aS)-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
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| Smiles: |
CC([C@@H]1CCC(=C)[C@H]2[C@H]1[C@H](CC2)C(=O)C)C
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| InChi : |
InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-7-8-14(11(4)16)15(12)13/h9,12-15H,3,5-8H2,1-2,4H3/t12-,13-,14+,15-/m0/s1
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| InChi Key : |
InChIKey=YKWVCZPTAAKDIY-XQLPTFJDSA-N
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| PubChem ID : |
14038847
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| Rotatable bond count : |
2
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.645152
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
3.205
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| XLogP : |
4.515
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VDW volume : |
246.80062
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| Molecular weight : |
220.182715
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HOMO-LUMO gap : |
10.581000
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| Herb list : |
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| Refrences & Litretures: |
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