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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1S,4aS,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene , (1S,4aS,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
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| Smiles: |
CC1=CC[C@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C
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| InChi : |
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14+,15-/m0/s1
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| InChi Key : |
InChIKey=USDOQCCMRDNVAH-ZNMIVQPWSA-N
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| PubChem ID : |
25203009
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
9.075333
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.483
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| XLogP : |
5.901
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VDW volume : |
238.010393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
10.510000
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| Herb list : |
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| Refrences & Litretures: |
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