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(1,2,6,7)-Tricyclo[5.3.1.1(2,6)]dodecane-11,12-dione
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| PHCD compound ID : |
2691
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| Chemical Names : |
(1,2,6,7)-Tricyclo[5.3.1.1(2,6)]dodecane-11,12-dione
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| Molecular Formula : |
C12H16O2
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| Molecular Weight : |
192.11503
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More Details :
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| Names & Synonyms: |
1,2,3,4,5,6,7,8,9,10-decahydrotricyclo[5.3.1.1^{2,6}]dodecane-11,12-dione , 1,2,3,4,5,6,7,8,9,10-decahydrotricyclo[5.3.1.1^{2,6}]dodecane-11,12-quinone
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| Smiles: |
O=C1[C@@H]2CCC[C@H]1[C@@H]1C(=O)[C@H]2CCC1
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| InChi : |
InChI=1S/C12H16O2/c13-11-7-3-1-4-8(11)10-6-2-5-9(7)12(10)14/h7-10H,1-6H2/t7-,8+,9+,10-
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| InChi Key : |
InChIKey=MVMJKWBGQIOQOS-FIRGSJFUSA-N
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| PubChem ID : |
605937
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.584074
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
5.581
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| XLogP : |
0.9
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VDW volume : |
191.346434
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| Molecular weight : |
192.11503
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HOMO-LUMO gap : |
10.158000
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| Herb list : |
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| Refrences & Litretures: |
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