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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1S,4S,4aS,6S)-4-isopropyl-1,6-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene , (1S,4S,4aS,6S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
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| Smiles: |
C[C@H]1CC=C2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C
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| InChi : |
InChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,10-13,15H,5-6,8-9H2,1-4H3/t11-,12-,13-,15-/m0/s1
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| InChi Key : |
InChIKey=PWRFSOOIPDQWCI-ABHRYQDASA-N
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| PubChem ID : |
23616964
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
9.018766
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.561
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| XLogP : |
6.754
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VDW volume : |
240.646852
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| Molecular weight : |
206.203451
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HOMO-LUMO gap : |
10.501000
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| Herb list : |
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| Refrences & Litretures: |
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