Free Chemical Databases
-
[Synonyms]
NSC31638
6318-49-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 168.23284 [g/mol] Molecular Formula C10H16O2 XLogP 2.4 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 3 Exact Mass 168.11503 MonoIsotopic Mass 168.11503 Topological Polar Surface Area 26.3 Heavy Atom Count 12 Formal Charge 0 Complexity 178 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: (1-ethenylcyclohexyl) acetate
Canonical SMILES: CC(=O)OC1(CCCCC1)C=C
InChI: InChI=1/C10H16O2/c1-3-10(12-9(2)11)7-5-4-6-8-10/h3H,1,4-8H2,2H3
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