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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methanol , [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol , [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol , [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
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| Smiles: |
OC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C
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| InChi : |
InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,15+/m0/s1
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| InChi Key : |
InChIKey=ZPTSRWNMMWXEHX-KCQAQPDRSA-N
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| PubChem ID : |
171360
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.764941
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.532
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| XLogP : |
5.067
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VDW volume : |
249.437079
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| Molecular weight : |
222.198365
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HOMO-LUMO gap : |
10.838000
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| Herb list : |
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| Refrences & Litretures: |
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