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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1-isopropyl-3a-methyl-7-methylene-2,3,5,6,8,8a-hexahydro-1H-azulen-4-one , 3a-methyl-7-methylene-1-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-azulen-4-one , 3a-methyl-7-methylidene-1-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-azulen-4-one
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| Smiles: |
C=C1CCC(=O)[C@@]2([C@H](C1)[C@@H](CC2)C(C)C)C
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| InChi : |
InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(12)9-11(3)5-6-14(15)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13+,15-/m0/s1
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| InChi Key : |
InChIKey=JBOONPKUPONSIB-GUTXKFCHSA-N
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| PubChem ID : |
15118057
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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 : |
9.758894
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.729
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| XLogP : |
3.896
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VDW volume : |
246.80062
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| Molecular weight : |
220.182715
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HOMO-LUMO gap : |
10.651000
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| Herb list : |
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| Refrences & Litretures: |
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