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ScientificNameLabel
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Bicycle(2,2,2)octane-1,2,3,6-tetramethyl
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| PHCD compound ID : |
1368
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| Chemical Names : |
Bicycle(2,2,2)octane-1,2,3,6-tetramethyl
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| Molecular Formula : |
C12H22
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| Molecular Weight : |
166.172151
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More Details :
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| Names & Synonyms: |
2,3,4,5-tetramethylbicyclo[2.2.2]octane
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| Smiles: |
C[C@@H]1[C@@H]2CC[C@]([C@H]1C)([C@H](C2)C)C
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| InChi : |
InChI=1S/C12H22/c1-8-7-11-5-6-12(8,4)10(3)9(11)2/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11+,12-/m0/s1
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| InChi Key : |
InChIKey=RYYCONITTSRFND-NGDQXYMTSA-N
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| PubChem ID : |
572856
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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 : |
10.082438
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.147
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| XLogP : |
6.22
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VDW volume : |
191.395357
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| Molecular weight : |
166.172151
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HOMO-LUMO gap : |
13.921000
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| Herb list : |
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