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ScientificNameLabel
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1,4-Cadinadiene
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| PHCD compound ID : |
143
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| Chemical Names : |
naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)- , 1,4-Cadinadiene , 1,4-Cadinadienea
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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: |
4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene , 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
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| Smiles: |
CC1=C[C@@H]2C(=CC1)[C@H](C)CC[C@H]2C(C)C
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| InChi : |
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13+,15+/m1/s1
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| InChi Key : |
InChIKey=JUQGWBAOQUBVFP-IPYPFGDCSA-N
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| PubChem ID : |
519298
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.771451
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.296
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| XLogP : |
6.091
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VDW volume : |
238.010393
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| Molecular weight : |
204.187801
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HOMO-LUMO gap : |
10.198000
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