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ScientificNameLabel
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1,4,7,-Cycloundecatriene,1,5,9,9-tetramethyl
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| PHCD compound ID : |
2876
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| Chemical Names : |
1,4,7,-Cycloundecatriene,1,5,9,9-tetramethyl
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| Molecular Formula : |
C15H24
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| Molecular Weight : |
204.187801
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More Details :
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| Names & Synonyms: |
(1Z,4Z,7Z)-1,5,9,9-tetramethylcycloundeca-1,4,7-triene
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| Smiles: |
CC1=CCC=C(C)CC=CC(CC1)(C)C
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| InChi : |
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-8,11H,5,9-10,12H2,1-4H3/b11-6-,13-7-,14-8-
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| InChi Key : |
InChIKey=FVWQAXRELOCFSV-AZDRRDCDSA-N
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| PubChem ID : |
5368784
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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 : |
8.896141
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.883
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| XLogP : |
6.129
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VDW volume : |
247.730393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
10.183000
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| Herb list : |
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