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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyl-decalin , (1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
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| Smiles: |
C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C
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| InChi : |
InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3/t11-,12-,13-,14-,15-/m0/s1
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| InChi Key : |
InChIKey=FZZNNPQZDRVKLU-YTFOTSKYSA-N
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| PubChem ID : |
9548708
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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 : |
10.033290
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.189
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| XLogP : |
7.829
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VDW volume : |
243.283311
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| Molecular weight : |
208.219101
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HOMO-LUMO gap : |
13.875000
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| Herb list : |
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| Refrences & Litretures: |
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