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ScientificNameLabel
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Decane, 5,6-bis(2,2-dimethylpropylidene)-,(E,Z)-
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| PHCD compound ID : |
247
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| Chemical Names : |
(3E,5E)-4,5-Dibutyl-2,2,7,7-tetramethyl-3,5-octadiene , Decane, 5,6-bis(2,2-dimethylpropylidene)-,(E,Z)-
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| Molecular Formula : |
C20H38
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| Molecular Weight : |
278.297351
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More Details :
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| Names & Synonyms: |
(5E,6E)-5,6-bis(2,2-dimethylpropylidene)decane , (3E,5E)-4,5-dibutyl-2,2,7,7-tetramethyl-octa-3,5-diene
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| Smiles: |
CCCC/C(=C\C(C)(C)C)/C(=C/C(C)(C)C)/CCCC
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| InChi : |
InChI=1S/C20H38/c1-9-11-13-17(15-19(3,4)5)18(14-12-10-2)16-20(6,7)8/h15-16H,9-14H2,1-8H3/b17-15+,18-16+
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| InChi Key : |
InChIKey=XPVCHOAMYULMRI-YTEMWHBBSA-N
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| PubChem ID : |
5365071
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| Rotatable bond count : |
9
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
9.212647
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.323
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| XLogP : |
9.752
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VDW volume : |
349.203234
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| Molecular weight : |
278.297351
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HOMO-LUMO gap : |
10.399000
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