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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1,7,7-trimethylnorbornan-2-yl) 3-methylenecyclopentanecarboxylate , 3-methylene-1-cyclopentanecarboxylic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester , (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate , 3-methylenecyclopentanecarboxylic acid 2-bornyl ester
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| Smiles: |
C=C1CC[C@@H](C1)C(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C
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| InChi : |
InChI=1S/C17H26O2/c1-11-5-6-12(9-11)15(18)19-14-10-13-7-8-17(14,4)16(13,2)3/h12-14H,1,5-10H2,2-4H3/t12-,13-,14+,17+/m0/s1
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| InChi Key : |
InChIKey=SWUDFTFZJZYYDY-SZOQZIPDSA-N
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| PubChem ID : |
557320
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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 : |
9.790475
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.814
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| XLogP : |
4.409
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VDW volume : |
277.826357
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| Molecular weight : |
262.19328
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HOMO-LUMO gap : |
10.950000
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| Herb list : |
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| Refrences & Litretures: |
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