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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(1S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl] acetate , acetic acid [(1S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl] ester , [(1S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl] acetate , [(1S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl] ethanoate
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| Smiles: |
CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)OC2(C)C
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| InChi : |
InChI=1S/C12H20O3/c1-8(13)14-10-7-9-5-6-12(10,4)15-11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m1/s1
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| InChi Key : |
InChIKey=XRKZFZWIYZDOQO-SCVCMEIPSA-N
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| PubChem ID : |
91752456
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| Rotatable bond count : |
2
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
9.573665
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.714
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| XLogP : |
2.305
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VDW volume : |
215.129578
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| Molecular weight : |
212.141245
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HOMO-LUMO gap : |
10.727000
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| Herb list : |
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| Refrences & Litretures: |
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