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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2-[(2S,4aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol , 2-[(2S,4aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]-2-propanol
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| Smiles: |
CC1=CCC[C@]2([C@@H]1C[C@H](CC2)C(O)(C)C)C
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| InChi : |
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15+/m0/s1
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| InChi Key : |
InChIKey=FCSRUSQUAVXUKK-GZBFAFLISA-N
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| PubChem ID : |
6428428
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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 : |
8.986728
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.055
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| XLogP : |
4.785
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VDW volume : |
249.437079
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| Molecular weight : |
222.198365
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HOMO-LUMO gap : |
10.536000
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| Herb list : |
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| Refrences & Litretures: |
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