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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
9-dodecyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene , 9-lauryl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
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| Smiles: |
CCCCCCCCCCCC[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]2[C@H]1CCCC2
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| InChi : |
InChI=1S/C26H48/c1-2-3-4-5-6-7-8-9-10-11-16-22-21-23-17-12-13-18-24(23)26-20-15-14-19-25(22)26/h22-26H,2-21H2,1H3/t22-,23+,24+,25+,26+/m1/s1
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| InChi Key : |
InChIKey=JTVJHJFIEIFWQH-RXBPMRIASA-N
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| PubChem ID : |
296267
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| Rotatable bond count : |
11
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
9.999025
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.090
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| XLogP : |
13.809
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VDW volume : |
421.182683
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| Molecular weight : |
360.375602
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HOMO-LUMO gap : |
13.718000
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| Herb list : |
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| Refrences & Litretures: |
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