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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl] 3-methylbutanoate , 3-methylbutanoic acid [(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester , [(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate , 3-methylbutyric acid [(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl] ester
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| Smiles: |
CC(CC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C)C
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| InChi : |
InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12-,15+/m0/s1
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| InChi Key : |
InChIKey=MPYYVGIJHREDBO-SLEUVZQESA-N
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| PubChem ID : |
36690486
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| Rotatable bond count : |
4
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
10.319569
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.508
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| XLogP : |
4.804
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VDW volume : |
258.227305
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| Molecular weight : |
238.19328
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HOMO-LUMO gap : |
11.603000
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| Herb list : |
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| Refrences & Litretures: |
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