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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1S,4R)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol , (1S,4R)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol , (1S,4R)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
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| Smiles: |
CC1=C[C@H]2[C@H](CC1)[C@@](C)(O)CC[C@@H]2C(C)C
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| InChi : |
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15+/m1/s1
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| InChi Key : |
InChIKey=LHYHMMRYTDARSZ-KBXIAJHMSA-N
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| PubChem ID : |
6431302
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| Rotatable bond count : |
1
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.197085
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.997
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| XLogP : |
4.476
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VDW volume : |
249.437079
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| Molecular weight : |
222.198365
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HOMO-LUMO gap : |
10.550000
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| Herb list : |
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| Refrences & Litretures: |
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