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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1aS,4aS,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7b-hexahydro-1aH-cyclopropa[e]azulene , (1aS,4aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7b-hexahydro-1aH-cyclopropa[e]azulene , (1aS,4aS,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7b-hexahydro-1aH-cycloprop[e]azulene
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| Smiles: |
CC1=C2[C@@H](CC1)C(=C)CC[C@H]1[C@@H]2C1(C)C
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| InChi : |
InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h11-12,14H,1,5-8H2,2-4H3/t11-,12-,14-/m0/s1
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| InChi Key : |
InChIKey=DKAGYTWZAOJITC-OBJOEFQTSA-N
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| PubChem ID : |
21579276
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| Rotatable bond count : |
0
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.676509
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.149
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| XLogP : |
5.137
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VDW volume : |
225.653935
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| Molecular weight : |
202.172151
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HOMO-LUMO gap : |
9.978000
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| Herb list : |
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| Refrences & Litretures: |
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