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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl] 2-methylpropanoate , 2-methylpropanoic acid [(1R,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester , [(1R,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylpropanoate , 2-methylpropionic acid [(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl] ester
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| Smiles: |
O=C(C(C)C)O[C@@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C
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| InChi : |
InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m1/s1
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| InChi Key : |
InChIKey=KRKIAJBQOUBNSE-GYSYKLTISA-N
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| PubChem ID : |
174490
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| Rotatable bond count : |
3
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
10.259703
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.094
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| XLogP : |
4.02
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VDW volume : |
240.931321
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| Molecular weight : |
224.17763
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HOMO-LUMO gap : |
11.557000
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| Herb list : |
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| Refrences & Litretures: |
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