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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2-[(3aR,5S,8aS)-3-methyl-8-methylene-3a,4,5,6,7,8a-hexahydro-1H-azulen-5-yl]propan-2-ol , 2-[(3aR,5S,8aS)-3-methyl-8-methylene-3a,4,5,6,7,8a-hexahydro-1H-azulen-5-yl]-2-propanol , 2-[(3aR,5S,8aS)-3-methyl-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-5-yl]propan-2-ol
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| Smiles: |
CC1=CC[C@H]2[C@H]1C[C@H](CCC2=C)C(O)(C)C
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| InChi : |
InChI=1S/C15H24O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h6,12-14,16H,1,5,7-9H2,2-4H3/t12-,13+,14-/m0/s1
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| InChi Key : |
InChIKey=KOMASUWOXAIAJL-MJBXVCDLSA-N
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| PubChem ID : |
15227485
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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 : |
9.202355
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.623
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| XLogP : |
3.766
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VDW volume : |
246.80062
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| Molecular weight : |
220.182715
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HOMO-LUMO gap : |
10.431000
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| Herb list : |
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| Refrences & Litretures: |
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