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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1,1,7-trimethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulene , 1,1,7-trimethyl-1a,2,4a,5,6,7,7a,7b-octahydrocycloprop[e]azulene
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| Smiles: |
C[C@@H]1CC[C@H]2[C@H]1[C@@H]1[C@@H](C1(C)C)CC=C2
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| InChi : |
InChI=1S/C14H22/c1-9-7-8-10-5-4-6-11-13(12(9)10)14(11,2)3/h4-5,9-13H,6-8H2,1-3H3/t9-,10+,11+,12+,13+/m1/s1
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| InChi Key : |
InChIKey=IHQUEBHATOOKPN-MOLYVOAJSA-N
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| PubChem ID : |
91752786
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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 : |
9.389234
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.650
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| XLogP : |
6.437
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VDW volume : |
210.994409
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| Molecular weight : |
190.172151
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HOMO-LUMO gap : |
10.725000
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| Herb list : |
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| Refrences & Litretures: |
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