Free Chemical Databases
-
[Synonyms]
Diisobutyl glutarate
Glutaric acid, diisobutyl ester
EINECS 275-257-7
Pentanedioic acid, bis(2-methylpropyl) ester
Pentanedioic acid bis(2-methylpropyl) ester, diisobutyl glutarate
71195-64-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 244.32726 [g/mol] Molecular Formula C13H24O4 XLogP 2.4 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 10 Exact Mass 244.167459 MonoIsotopic Mass 244.167459 Topological Polar Surface Area 52.6 Heavy Atom Count 17 Formal Charge 0 Complexity 210 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: bis(2-methylpropyl) pentanedioate
Canonical SMILES: CC(C)COC(=O)CCCC(=O)OCC(C)C
InChI: InChI=1/C13H24O4/c1-10(2)8-16-12(14)6-5-7-13(15)17-9-11(3)4/h10-11H,
5-9H2,1-4H3
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