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ScientificNameLabel
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18,18'-Bi-1,4,7,10,13,16-hexaoxacyclononadecane
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| PHCD compound ID : |
5120
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| Chemical Names : |
18,18'-Bi-1,4,7,10,13,16-hexaoxacyclononadecane
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| Molecular Formula : |
C26H50O12
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| Molecular Weight : |
554.330227
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More Details :
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| Names & Synonyms: |
18-(1,4,7,10,13,16-hexaoxacyclononadec-18-yl)-1,4,7,10,13,16-hexaoxacyclononadecane
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| Smiles: |
O1CCOCCOCCOCCOCCOCC(C1)C1COCCOCCOCCOCCOCCOC1
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| InChi : |
InChI=1S/C26H50O12/c1-2-28-6-10-32-14-18-36-22-25(21-35-17-13-31-9-5-27-1)26-23-37-19-15-33-11-7-29-3-4-30-8-12-34-16-20-38-24-26/h25-26H,1-24H2
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| InChi Key : |
InChIKey=QEJJTNQQQOOYNR-UHFFFAOYSA-N
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| PubChem ID : |
560657
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
12
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Ionization potential : |
9.334119
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
3.966
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| XLogP : |
-2.026
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VDW volume : |
539.021862
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| Molecular weight : |
554.330227
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HOMO-LUMO gap : |
11.257000
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