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ScientificNameLabel
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1,5,5,8-tetramethyl-[1R-(1R,3E,7E,11R)]-12-Oxabicyclo[9.1.0]dodeca-3,7-diene
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| PHCD compound ID : |
4131
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| Chemical Names : |
1,5,5,8-tetramethyl-[1R-(1R,3E,7E,11R)]-12-Oxabicyclo[9.1.0]dodeca-3,7-diene
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| Molecular Formula : |
C15H24O1
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| Molecular Weight : |
220.182715
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More Details :
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| Names & Synonyms: |
(4Z,8Z)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene
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| Smiles: |
CC1=CCC(C)(C)C=CC[C@]2([C@@H](CC1)O2)C
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| InChi : |
InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-/t13-,15+/m1/s1
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| InChi Key : |
InChIKey=QTGAEXCCAPTGLB-KDYBSOQRSA-N
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| PubChem ID : |
23274265
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.169694
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.081
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| XLogP : |
4.314
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VDW volume : |
246.80062
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| Molecular weight : |
220.182715
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HOMO-LUMO gap : |
10.427000
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