Free Chemical Databases
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[Synonyms]
BARBITURIC ACID, 5-(2-METHYLALLYL)-5-(1-METHYLPROPYL)-
67051-49-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 238.28292 [g/mol] Molecular Formula C12H18N2O3 XLogP 1.8 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 4 Tautomer Count 5 Exact Mass 238.131742 MonoIsotopic Mass 238.131742 Topological Polar Surface Area 75.3 Heavy Atom Count 17 Formal Charge 0 Complexity 367 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-butan-2-yl-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCC(C)C1(C(=O)NC(=O)NC1=O)CC(=C)C
InChI: InChI=1/C12H18N2O3/c1-5-8(4)12(6-7(2)3)9(15)13-11(17)14-10(12)16/h8H,2,
5-6H2,1,3-4H3,(H2,13,14,15,16,17)/f/h13-14H
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