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ScientificNameLabel
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1,2,3,4,5,6,7,8a-octadydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
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| PHCD compound ID : |
3347
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| Chemical Names : |
1,2,3,4,5,6,7,8a-octadydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
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| Molecular Formula : |
C15H26
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| Molecular Weight : |
206.203451
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More Details :
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| Names & Synonyms: |
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| Smiles: |
C[C@H]1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C
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| InChi : |
InChI=1S/C15H26/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h10-13H,5-9H2,1-4H3/t10-,11+,12-,13-,15-/m0/s1
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| InChi Key : |
InChIKey=JJTQQGNEXQKQRF-KBRXKUPHSA-N
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| PubChem ID : |
518785
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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 : |
10.223278
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.138
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| XLogP : |
7.563
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VDW volume : |
230.926852
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| Molecular weight : |
206.203451
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HOMO-LUMO gap : |
13.836000
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| Herb list : |
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| Refrences & Litretures: |
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