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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
4-hydroperoxy-5-isopropyl-8-methyl-3-methylene-2,4,4a,5,8,8a-hexahydro-1H-naphthalene , 4-hydroperoxy-8-methyl-3-methylene-5-propan-2-yl-2,4,4a,5,8,8a-hexahydro-1H-naphthalene , 4-hydroperoxy-8-methyl-3-methylidene-5-propan-2-yl-2,4,4a,5,8,8a-hexahydro-1H-naphthalene , 4-(dioxidanyl)-8-methyl-3-methylidene-5-propan-2-yl-2,4,4a,5,8,8a-hexahydro-1H-naphthalene
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| Smiles: |
OO[C@@H]1C(=C)CC[C@@H]2[C@@H]1[C@@H](C=C[C@H]2C)C(C)C
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| InChi : |
InChI=1S/C15H24O2/c1-9(2)12-7-5-10(3)13-8-6-11(4)15(17-16)14(12)13/h5,7,9-10,12-16H,4,6,8H2,1-3H3/t10-,12+,13+,14+,15-/m1/s1
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| InChi Key : |
InChIKey=DFHGJIJFSPSKJV-QPGZIWCOSA-N
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| PubChem ID : |
536595
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| Rotatable bond count : |
2
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.498797
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.480
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| XLogP : |
4.197
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VDW volume : |
255.590847
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| Molecular weight : |
236.17763
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HOMO-LUMO gap : |
10.369000
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| Herb list : |
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| Refrences & Litretures: |
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