(1R,2R,5S)-2-Isopropyl-5-Methylcyclohexyl (2Z)-3-[(S)-2-Pyridinylsulfinyl]Acrylate

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Properties Simple | Detailed

Formula C18H25NO3S
IUPAC Name [(1r,2r,5s)-2-isopropyl-5-methyl-cyclohexyl] (z)-3-[(s)-2-pyridylsulfinyl]prop-2-enoate
Molecular Mass 335.461 g·mol−1
Heat of Formation -399.1 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 423.98 Å 3
Surface Area 350.69 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-3-[(s)-2-pyridylsulfinyl]acrylic acid [(1r,2r,5s)-2-isopropyl-5-methyl-cyclohexyl] ester
  • (z)-3-[(s)-2-pyridylsulfinyl]prop-2-enoic acid [(1r,2r,5s)-2-isopropyl-5-methylcyclohexyl] ester
  • 2-propenoic acid, 3-(2-pyridinylsulfinyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1s-(1alpha(z(r*)),2beta,5alpha))-
  • 5-methyl-2-(1-methylethyl)cyclohexyl 3-(2-pyridinylsulfinyl)-2-propenoate (1s-(1alpha(z(r*)),2beta,5alpha))-
  • [(1r,2r,5s)-2-isopropyl-5-methyl-cyclohexyl] (z)-3-[(s)-2-pyridylsulfinyl]prop-2-enoate
  • [(1r,2r,5s)-5-methyl-2-propan-2-yl-cyclohexyl] (z)-3-[(s)-pyridin-2-ylsulfinyl]prop-2-enoate
  • [(1r,2r,5s)-5-methyl-2-propan-2-ylcyclohexyl] (z)-3-[(s)-pyridin-2-ylsulfinyl]prop-2-enoate
  • men-psa
  • menthyl 3-(2-pyridylsulfinyl)acrylate
CAS Number(s)
  • 105802-70-8
InChIKey KCWWRYNVHIKIDU-ZFFGRMDGSA-N
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