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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1,1-dimethyldecalin , 8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene , 8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
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| Smiles: |
CC1(C)CCC[C@H]2[C@H]1CCCC2
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| InChi : |
InChI=1S/C12H22/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h10-11H,3-9H2,1-2H3/t10-,11+/m0/s1
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| InChi Key : |
InChIKey=XQBJYAGJXKHDCL-WDEREUQCSA-N
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| PubChem ID : |
557347
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| Rotatable bond count : |
0
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
10.153808
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.093
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| XLogP : |
6.342
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VDW volume : |
191.395357
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| Molecular weight : |
166.172151
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HOMO-LUMO gap : |
13.990000
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| Herb list : |
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| Refrences & Litretures: |
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