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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3,3a,6,6-tetramethyl-1,3,4,5,5a,7,8,9-octahydrocyclopenta[i]inden-2-one , 3,3a,6,6-tetramethyl-1,3,4,5,5a,7,8,9-octahydrocyclopenta[i]inden-2-one , 3,3a,6,6-tetramethyl-1,3,4,5,5a,7,8,9-octahydrocyclopent[i]inden-2-one
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| Smiles: |
O=C1C[C@@]23[C@@]([C@@H]1C)(C)CC[C@H]3C(CCC2)(C)C
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| InChi : |
InChI=1S/C16H26O/c1-11-12(17)10-16-8-5-7-14(2,3)13(16)6-9-15(11,16)4/h11,13H,5-10H2,1-4H3/t11-,13+,15+,16+/m1/s1
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| InChi Key : |
InChIKey=ZCDARPAZHKDRFL-XTBFLFJDSA-N
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| PubChem ID : |
6425642
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| Rotatable bond count : |
0
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.738179
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
3.371
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| XLogP : |
5.521
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VDW volume : |
254.376605
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| Molecular weight : |
234.198365
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HOMO-LUMO gap : |
10.871000
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| Herb list : |
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| Refrences & Litretures: |
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