99485-76-4 Purity
96%
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Specification
The molecular formula of 1,5-Diethylnaphthalene is C18H18O8.
The molecular weight of 1,5-Diethylnaphthalene is 362.3 g/mol.
The IUPAC name of 1,5-Diethylnaphthalene is 1,5-diethylnaphthalene-1,4,5,8-tetracarboxylic acid.
The InChI of 1,5-Diethylnaphthalene is InChI=1S/C18H18O8/c1-3-17(15(23)24)7-5-10(14(21)22)12-11(17)9(13(19)20)6-8-18(12,4-2)16(25)26/h5-8H,3-4H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26).
The InChIKey of 1,5-Diethylnaphthalene is QHUCDUNJUKQLLS-UHFFFAOYSA-N.
The canonical SMILES of 1,5-Diethylnaphthalene is CCC1(C=CC(=C2C1=C(C=CC2(CC)C(=O)O)C(=O)O)C(=O)O).
The XLogP3-AA value of 1,5-Diethylnaphthalene is 1.
1,5-Diethylnaphthalene has 4 hydrogen bond donor counts.
1,5-Diethylnaphthalene has 8 hydrogen bond acceptor counts.
1,5-Diethylnaphthalene has 6 rotatable bond counts.