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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2,6,6-trimethyl-3-oxo-cyclohexene-1-carbaldehyde , 2,6,6-trimethyl-3-oxo-1-cyclohexenecarboxaldehyde , 2,6,6-trimethyl-3-oxocyclohexene-1-carbaldehyde , 2,6,6-trimethyl-3-oxidanylidene-cyclohexene-1-carbaldehyde , 3-keto-2,6,6-trimethyl-cyclohexene-1-carbaldehyde
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| Smiles: |
O=CC1=C(C)C(=O)CCC1(C)C
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| InChi : |
InChI=1S/C10H14O2/c1-7-8(6-11)10(2,3)5-4-9(7)12/h6H,4-5H2,1-3H3
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| InChi Key : |
InChIKey=FRKQOTHZPTXCJI-UHFFFAOYSA-N
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| PubChem ID : |
642490
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| Rotatable bond count : |
1
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.965398
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.576
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| XLogP : |
1.013
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VDW volume : |
178.830924
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| Molecular weight : |
166.09938
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HOMO-LUMO gap : |
9.462000
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| Herb list : |
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| Refrences & Litretures: |
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