Free Chemical Databases
-
[Synonyms]
NSC6663
5421-21-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 258.35384 [g/mol] Molecular Formula C14H26O4 XLogP 3.1 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 7 Exact Mass 258.183109 MonoIsotopic Mass 258.183109 Topological Polar Surface Area 44.8 Heavy Atom Count 18 Formal Charge 0 Complexity 267 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 3 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 2-(5-ethyl-2-methyl-4-propyl-1,3-dioxan-2-yl)acetate
Canonical SMILES: CCCC1C(COC(O1)(C)CC(=O)OCC)CC
InChI: InChI=1/C14H26O4/c1-5-8-12-11(6-2)10-17-14(4,
18-12)9-13(15)16-7-3/h11-12H,5-10H2,1-4H3
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