Free Chemical Databases
-
[Synonyms]
NSC60329
6952-03-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 201.30582 [g/mol] Molecular Formula C11H23NO2 XLogP 3.7 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 7 Tautomer Count 2 Exact Mass 201.172879 MonoIsotopic Mass 201.172879 Topological Polar Surface Area 38.3 Heavy Atom Count 14 Formal Charge 0 Complexity 161 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: hexyl N-tert-butylcarbamate
Canonical SMILES: CCCCCCOC(=O)NC(C)(C)C
InChI: InChI=1/C11H23NO2/c1-5-6-7-8-9-14-10(13)12-11(2,3)4/h5-9H2,1-4H3,(H,12,
13)/f/h12H
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