(3R,4R,5Z)-3-[(7-Chloro-1,3-Benzodioxol-5-Yl)Methyl]-4-Hydroxy-4-Isopropyl-5-(4-Methoxybenzylidene)Dihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C23H23ClO6
IUPAC Name (3r,4r,5z)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-4-isopropyl-5-[(4-methoxyphenyl)methylene]tetrahydrofuran-2-one
Molecular Mass 430.878 g·mol−1
Heat of Formation -795.7 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 485.78 Å 3
Surface Area 416.8 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r,5z)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-4-isopropyl-5-(4-methoxybenzylidene)tetrahydrofuran-2-one
  • (3r,4r,5z)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-4-isopropyl-5-[(4-methoxyphenyl)methylene]-2-tetrahydrofuranone
  • (3r,4r,5z)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-4-isopropyl-5-[(4-methoxyphenyl)methylene]tetrahydrofuran-2-one
  • (3r,4r,5z)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yl-oxolan-2-one
  • (3r,4r,5z)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one
  • 2(3h)-furanone, 3-((7-chloro-1,3-benzodioxo)-5-yl)methyl)dihydro-4-hydroxy-5-((4-methoxyphenyl)methylene)-4-(1-methylethyl)-, (3r,4r,5z)-rel-(+)-
  • 2(3h)-furanone, 3-((7-chloro-1,3-benzodioxol-5-yl)methyl)dihydro-4-hydroxy-5-((4-methoxyphenyl)methylene)-4-(1-methylethyl)-, (3alpha,4beta,5z)-(+)-
CAS Number(s)
  • 80902-00-7
InChIKey YYPUQBCQRSMSKU-YLBRSAIOSA-N
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