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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
methyl (1aS,4aS,8aR)-4a,8,8-trimethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene-2-carboxylate , (1aS,4aS,8aR)-4a,8,8-trimethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene-2-carboxylic acid methyl ester
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| Smiles: |
COC(=O)C1=CC[C@]2([C@]3([C@@H]1C3)C(C)(C)CCC2)C
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| InChi : |
InChI=1S/C16H24O2/c1-14(2)7-5-8-15(3)9-6-11(13(17)18-4)12-10-16(12,14)15/h6,12H,5,7-10H2,1-4H3/t12-,15+,16-/m1/s1
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| InChi Key : |
InChIKey=RYUNKXCKMNQCED-UHOFOFEASA-N
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| PubChem ID : |
101071730
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| Rotatable bond count : |
2
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.569324
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.554
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| XLogP : |
5.561
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VDW volume : |
260.530373
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| Molecular weight : |
248.17763
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HOMO-LUMO gap : |
9.610000
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| Herb list : |
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| Refrences & Litretures: |
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