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ScientificNameLabel
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Tricyclo[6.3.0.0(1,5)]undec-2-en-4-one,2,3,5,9-tetramethyl
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| PHCD compound ID : |
5237
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| Chemical Names : |
Tricyclo[6.3.0.0(1,5)]undec-2-en-4-one,2,3,5,9-tetramethyl
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| Molecular Formula : |
C15H22O1
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| Molecular Weight : |
218.167065
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More Details :
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| Names & Synonyms: |
2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one , 2,3,5,9-tetramethyl-4-tricyclo[6.3.0.01,5]undec-2-enone , 2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
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| Smiles: |
C[C@H]1CC[C@]23[C@@H]1CC[C@]3(C)C(=O)C(=C2C)C
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| InChi : |
InChI=1S/C15H22O/c1-9-5-8-15-11(3)10(2)13(16)14(15,4)7-6-12(9)15/h9,12H,5-8H2,1-4H3/t9-,12+,14+,15+/m0/s1
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| InChi Key : |
InChIKey=WRSMTJOLBOXBOD-ZEQHWRKHSA-N
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| PubChem ID : |
585747
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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 : |
9.509961
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
3.894
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| XLogP : |
3.364
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VDW volume : |
234.444161
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| Molecular weight : |
218.167065
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HOMO-LUMO gap : |
9.680000
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