Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 241.36968 [g/mol] Molecular Formula C14H27NO2 XLogP 3.4 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 7 Exact Mass 241.204179 MonoIsotopic Mass 241.204179 Topological Polar Surface Area 29.5 Heavy Atom Count 17 Formal Charge 0 Complexity 226 Isotope Atom Count 0 Defined Atom StereoCenter Count 2 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: 2-diethylaminoethyl (1R,2S)-2-methylcyclohexane-1-carboxylate
Canonical SMILES: CCN(CC)CCOC(=O)C1CCCCC1C
Isomeric SMILES: CCN(CC)CCOC(=O)[C@@H]1CCCC[C@@H]1C
InChI: InChI=1/C14H27NO2/c1-4-15(5-2)10-11-17-14(16)13-9-7-6-8-12(13)3/h12-13H,
4-11H2,1-3H3/t12-,13+/m0/s1
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