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Cyclohexene, 3-acetoxy-4-(1-hydroxy-1-methylethyl)-1-methyl- [6-(2-hyd

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摘 要:Cyclohexene, 3-acetoxy-4-(1-hydroxy-1-methylethyl)-1-methyl- [6-(2-hydroxypropan-2-yl)-3-methyl-1-cyclohex-2-enyl] acetate,Canonical SMILES: CC1=CC(C(CC1)C(C)(C)O)OC(=O)C,InChI: InChI=1/C12H20O3/c1-8-5-6-10(12(3,4)14)11(7-8)15-9(2)13/h7,10-11,14H,,5-
[Synonyms]
Cyclohexene, 3-acetoxy-4-(1-hydroxy-1-methylethyl)-1-methyl-
[Structure]
Cyclohexene, 3-acetoxy-4-(1-hydroxy-1-methylethyl)-1-methyl- [6-(2-hyd

[ Properties Computed from Structure]
Molecular Weight212.2854 [g/mol]
Molecular FormulaC12H20O3
XLogP1.9
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Exact Mass212.141245
MonoIsotopic Mass212.141245
Topological Polar Surface Area46.5
Heavy Atom Count15
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [6-(2-hydroxypropan-2-yl)-3-methyl-1-cyclohex-2-enyl] acetate
Canonical SMILES: CC1=CC(C(CC1)C(C)(C)O)OC(=O)C
InChI: InChI=1/C12H20O3/c1-8-5-6-10(12(3,4)14)11(7-8)15-9(2)13/h7,10-11,14H,
5-6H2,1-4H3

 
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