5-Benzyl-3-Furylmethyl (E)-(1R,3S)-2,2-Dimethyl-3-(2-Oxothiolan-3-Ylidenemethyl)Cyclopropanecarboxylate

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Properties Simple | Detailed

Formula C23H24O4S
IUPAC Name (5-benzyl-3-furyl)methyl (1r,3s)-2,2-dimethyl-3-[(e)-(2-oxotetrahydrothiophen-3-ylidene)methyl]cyclopropanecarboxylate
Molecular Mass 396.499 g·mol−1
Heat of Formation -404.8 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 478.52 Å 3
Surface Area 364.41 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-2,2-dimethyl-3-[(e)-(2-oxo-3-tetrahydrothiophenylidene)methyl]-1-cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furyl]methyl ester
  • (1r,3s)-3-[(e)-(2-ketotetrahydrothiophen-3-ylidene)methyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [5-(benzyl)-3-furyl]methyl ester
  • [5-(phenylmethyl)-3-furyl]methyl (1r,3s)-2,2-dimethyl-3-[(e)-(2-oxotetrahydrothiophen-3-ylidene)methyl]cyclopropane-1-carboxylate
  • [5-(phenylmethyl)furan-3-yl]methyl (1r,3s)-2,2-dimethyl-3-[(e)-(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate
InChIKey UGWALRUNBSBTGI-ZKMZRDRYSA-N
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