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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1S,4S,4aS,8aR)-1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol , (1S,4S,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
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| Smiles: |
CC1=C[C@@H]2[C@@](CC1)(O)[C@@H](C)CC[C@H]2C(C)C
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| InChi : |
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1
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| InChi Key : |
InChIKey=COGPRPSWSKLKTF-AJNGGQMLSA-N
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| PubChem ID : |
12304220
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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 : |
9.216864
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.749
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| XLogP : |
4.054
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VDW volume : |
249.437079
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| Molecular weight : |
222.198365
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HOMO-LUMO gap : |
10.500000
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| Herb list : |
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| Refrences & Litretures: |
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