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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-4-en-3-one , 2,2,7,7-tetramethyl-3-tricyclo[6.2.1.01,6]undec-4-enone , 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-4-en-3-one
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| Smiles: |
O=C1C=C[C@H]2[C@]3(C1(C)C)CC[C@@H](C3)C2(C)C
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| InChi : |
InChI=1S/C15H22O/c1-13(2)10-7-8-15(9-10)11(13)5-6-12(16)14(15,3)4/h5-6,10-11H,7-9H2,1-4H3/t10-,11+,15-/m0/s1
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| InChi Key : |
InChIKey=RKGKLJHVQKIFJZ-RWSFTLGLSA-N
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| PubChem ID : |
600322
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.578629
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
4.123
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| XLogP : |
4.429
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VDW volume : |
234.444161
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| Molecular weight : |
218.167065
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HOMO-LUMO gap : |
9.612000
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| Herb list : |
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| Refrences & Litretures: |
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