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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene , 1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocycloprop[e]azulene
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| Smiles: |
C[C@H]1CC[C@@H]2[C@H](C3=C(CC[C@@H]13)C)C2(C)C
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| InChi : |
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12+,14+/m0/s1
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| InChi Key : |
InChIKey=SPCXZDDGSGTVAW-PQFRYHKHSA-N
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| PubChem ID : |
521243
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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 : |
8.656014
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.460
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| XLogP : |
5.944
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VDW volume : |
228.290393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
10.183000
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| Herb list : |
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| Refrences & Litretures: |
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