Free Chemical Databases
-
[Synonyms]
NSC17909
NSC17939
6640-82-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 260.36972 [g/mol] Molecular Formula C14H28O4 XLogP 2.9 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 13 Exact Mass 260.198759 MonoIsotopic Mass 260.198759 Topological Polar Surface Area 44.8 Heavy Atom Count 18 Formal Charge 0 Complexity 194 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: 2-(2-butoxyethoxy)ethyl 2-methylpentanoate
Canonical SMILES: CCCCOCCOCCOC(=O)C(C)CCC
InChI: InChI=1/C14H28O4/c1-4-6-8-16-9-10-17-11-12-18-14(15)13(3)7-5-2/h13H,
4-12H2,1-3H3
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