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ScientificNameLabel
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Tricycle[3.2.1.02,7]oct-3-ene,2,3,4,5-tetramethyl
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| PHCD compound ID : |
5221
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| Chemical Names : |
Tricycle[3.2.1.02,7]oct-3-ene,2,3,4,5-tetramethyl
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| Molecular Formula : |
C12H18
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| Molecular Weight : |
162.140851
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More Details :
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| Names & Synonyms: |
2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene , 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene
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| Smiles: |
CC1=C(C)[C@]2(C)[C@@H]3C[C@@]1(C)C[C@H]23
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| InChi : |
InChI=1S/C12H18/c1-7-8(2)12(4)9-5-11(7,3)6-10(9)12/h9-10H,5-6H2,1-4H3/t9-,10+,11+,12-
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| InChi Key : |
InChIKey=IAEUJFDBZCCVRV-IWDIQUIJSA-N
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| PubChem ID : |
590290
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.671088
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.387
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| XLogP : |
4.052
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VDW volume : |
176.402439
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| Molecular weight : |
162.140851
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HOMO-LUMO gap : |
9.940000
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