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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1aR,4R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,7b-hexahydrocyclopropa[e]azulene , (1aR,4R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,7b-hexahydrocyclopropa[e]azulene , (1aR,4R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,7b-hexahydrocycloprop[e]azulene
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| Smiles: |
CC1=CCC2=C1[C@H]1[C@H](C1(C)C)CC[C@H]2C
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| InChi : |
InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,9,12,14H,6-8H2,1-4H3/t9-,12-,14-/m1/s1
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| InChi Key : |
InChIKey=YBLUUFTVJWBMRJ-GAJTVXKRSA-N
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| PubChem ID : |
13892029
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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 : |
8.509073
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.450
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| XLogP : |
5.798
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VDW volume : |
225.653935
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| Molecular weight : |
202.172151
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HOMO-LUMO gap : |
9.226000
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| Herb list : |
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| Refrences & Litretures: |
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