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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3,3,4,5-tetramethylcyclohexanone , 3,3,4,5-tetramethyl-1-cyclohexanone , 3,3,4,5-tetramethylcyclohexan-1-one
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| Smiles: |
O=C1C[C@@H](C)[C@@H](C(C1)(C)C)C
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| InChi : |
InChI=1S/C10H18O/c1-7-5-9(11)6-10(3,4)8(7)2/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
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| InChi Key : |
InChIKey=RIAQBNSPOHNARJ-SFYZADRCSA-N
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| PubChem ID : |
89211994
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.862023
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
3.620
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| XLogP : |
3.05
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VDW volume : |
175.313614
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| Molecular weight : |
154.135765
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HOMO-LUMO gap : |
10.877000
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| Herb list : |
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| Refrences & Litretures: |
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