Free Chemical Databases
-
[Synonyms]
EINECS 216-365-6
ST5447280
(1R-(1alpha,2beta,5alpha))-1-(Isopropyl)-2-methoxy-4-methylcyclohexane
1565-76-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 170.29178 [g/mol] Molecular Formula C11H22O XLogP 3.7 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 2 Exact Mass 170.167065 MonoIsotopic Mass 170.167065 Topological Polar Surface Area 9.2 Heavy Atom Count 12 Formal Charge 0 Complexity 131 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: 2-methoxy-4-methyl-1-propan-2-ylcyclohexane
Canonical SMILES: CC1CCC(C(C1)OC)C(C)C
InChI: InChI=1/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3
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