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1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-Tetradecahydropyrene
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| PHCD compound ID : |
1679
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| Chemical Names : |
1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-Tetradecahydropyrene
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| Molecular Formula : |
C16H24
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| Molecular Weight : |
216.187801
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More Details :
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| Names & Synonyms: |
1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydropyrene
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| Smiles: |
C1C[C@@H]2CC[C@H]3C4=C2[C@@H](C1)CC[C@H]4CCC3
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| InChi : |
InChI=1S/C16H24/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-14H,1-10H2/t11-,12+,13+,14-
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| InChi Key : |
InChIKey=GHRTVTPXHFXING-LVEBTZEWSA-N
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| PubChem ID : |
612248
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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 : |
8.664611
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.157
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| XLogP : |
6.084
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VDW volume : |
233.229919
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| Molecular weight : |
216.187801
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HOMO-LUMO gap : |
10.271000
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| Herb list : |
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