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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3,5,5,9-tetramethyl-1,6,7,8,9,9a-hexahydrobenzo[7]annulene , 3,5,5,9-tetramethyl-1,6,7,8,9,9a-hexahydrobenzocycloheptene
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| Smiles: |
CC1=CC[C@H]2C(=C1)C(C)(C)CCC[C@H]2C
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| InChi : |
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-/m1/s1
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| InChi Key : |
InChIKey=JMGZKUMTFGHNRS-CHWSQXEVSA-N
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| PubChem ID : |
583791
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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 : |
8.363146
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.712
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| XLogP : |
6.098
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VDW volume : |
238.010393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
9.050000
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| Herb list : |
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| Refrences & Litretures: |
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