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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1-[(1R)-1,5-dimethyl-1,2,3,6,7,7a-hexahydroinden-3a-yl]-2-methyl-propan-1-one , 1-[(1R)-1,5-dimethyl-1,2,3,6,7,7a-hexahydroinden-3a-yl]-2-methyl-1-propanone , 1-[(1R)-1,5-dimethyl-1,2,3,6,7,7a-hexahydroinden-3a-yl]-2-methylpropan-1-one
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| Smiles: |
CC1=C[C@]2([C@@H](CC1)[C@@H](CC2)C)C(=O)C(C)C
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| InChi : |
InChI=1S/C15H24O/c1-10(2)14(16)15-8-7-12(4)13(15)6-5-11(3)9-15/h9-10,12-13H,5-8H2,1-4H3/t12-,13+,15-/m1/s1
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| InChi Key : |
InChIKey=NUTDFMLLZCEHML-VNHYZAJKSA-N
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| PubChem ID : |
91753729
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| Rotatable bond count : |
2
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.110712
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.937
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| XLogP : |
4.255
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VDW volume : |
246.80062
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| Molecular weight : |
220.182715
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HOMO-LUMO gap : |
10.221000
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| Herb list : |
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| Refrences & Litretures: |
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