Free Chemical Databases
-
[Synonyms]
NSC21771
5436-76-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 274.39784 [g/mol] Molecular Formula C18H26O2 XLogP 5 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 6 Exact Mass 274.19328 MonoIsotopic Mass 274.19328 Topological Polar Surface Area 18.5 Heavy Atom Count 20 Formal Charge 0 Complexity 292 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-methyl-2-(1-phenylhept-1-en-2-yl)-1,3-dioxane
Canonical SMILES: CCCCCC(=CC1=CC=CC=C1)C2OCCC(O2)C
InChI: InChI=1/C18H26O2/c1-3-4-6-11-17(14-16-9-7-5-8-10-16)18-19-13-12-15(2)20-
18/h5,7-10,14-15,18H,3-4,6,11-13H2,1-2H3
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