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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
4-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)but-3-en-2-one , 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one , 4-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one , 4-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)but-3-en-2-one
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| Smiles: |
CC(=O)/C=C/C1=C(C)[C@@H](O)CCC1(C)C
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| InChi : |
InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,12,15H,7-8H2,1-4H3/b6-5+/t12-/m0/s1
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| InChi Key : |
InChIKey=LICNQDPDQQOXCU-FYJFLYSWSA-N
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| PubChem ID : |
54034727
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| Rotatable bond count : |
2
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.640911
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.032
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| XLogP : |
1.62
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VDW volume : |
230.718877
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| Molecular weight : |
208.14633
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HOMO-LUMO gap : |
9.483000
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| Herb list : |
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| Refrences & Litretures: |
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