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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
7-isopropenyl-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene , 1,4-dimethyl-7-(1-methylethenyl)-1,2,3,3a,4,5,6,7-octahydroazulene , 1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
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| Smiles: |
C[C@@H]1CC[C@@H]2C1=C[C@H](CC[C@H]2C)C(=C)C
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| InChi : |
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11-14H,1,5-8H2,2-4H3/t11-,12-,13+,14+/m1/s1
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| InChi Key : |
InChIKey=DUYRYUZIBGFLDD-MQYQWHSLSA-N
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| PubChem ID : |
90805
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
9.176405
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.267
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| XLogP : |
6.048
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VDW volume : |
238.010393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
10.484000
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| Herb list : |
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| Refrences & Litretures: |
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