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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
6-[(Z)-but-2-enyl]-1,5,5-trimethyl-cyclohexene , 6-[(Z)-but-2-enyl]-1,5,5-trimethylcyclohexene , 6-[(Z)-but-2-enyl]-1,5,5-trimethylcyclohexene
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| Smiles: |
C/C=C\C[C@@H]1C(=CCCC1(C)C)C
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| InChi : |
InChI=1S/C13H22/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8,12H,7,9-10H2,1-4H3/b6-5-/t12-/m1/s1
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| InChi Key : |
InChIKey=SNHNEPFADCCPAL-FOQNGQEVSA-N
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| PubChem ID : |
5371284
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| Rotatable bond count : |
2
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.982610
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.644
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| XLogP : |
5.874
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VDW volume : |
215.774883
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| Molecular weight : |
178.172151
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HOMO-LUMO gap : |
10.247000
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| Herb list : |
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| Refrences & Litretures: |
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