(1S)-(+)-Neomenthyl Acetate

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Properties Simple | Detailed

Formula C12H22O2
IUPAC Name [(1s,2s,5r)-2-isopropyl-5-methyl-cyclohexyl] acetate
Molecular Mass 198.302 g·mol−1
Heat of Formation -583.3 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 278.04 Å 3
Surface Area 244.66 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
Synonyms
  • ()-(1s,2s,5r)-neomenthyl acetate
  • (1s)-()-neomenthyl acetate
  • [(1s,2s,5r)-2-isopropyl-5-methyl-cyclohexyl] acetate
  • [(1s,2s,5r)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate
  • [(1s,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] acetate
  • acetic acid [(1s,2s,5r)-2-isopropyl-5-methyl-cyclohexyl] ester
  • acetic acid [(1s,2s,5r)-2-isopropyl-5-methylcyclohexyl] ester
  • cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1s,2s,5r)-
  • cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1s-(1alpha,2alpha,5beta))-
InChIKey XHXUANMFYXWVNG-USWWRNFRSA-N
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