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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(4R,4aS,6R)-6-isopropenyl-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one , (4R,4aS,6R)-4,4a-dimethyl-6-(1-methylethenyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one , (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
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| Smiles: |
O=C1C[C@@H](C)[C@]2(C(=C1)CC[C@H](C2)C(=C)C)C
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| InChi : |
InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
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| InChi Key : |
InChIKey=WTOYNNBCKUYIKC-JMSVASOKSA-N
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| PubChem ID : |
1268142
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| Rotatable bond count : |
1
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.762872
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
5.139
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| XLogP : |
3.754
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VDW volume : |
244.164161
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| Molecular weight : |
218.167065
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HOMO-LUMO gap : |
9.781000
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| Herb list : |
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| Refrences & Litretures: |
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