3-Phenoxybenzyl (1R,3S)-2,2-Dimethyl-3-(2-Methyl-1-Propen-1-Yl)Cyclopropanecarboxylate

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Properties Simple | Detailed

Formula C23H26O3
IUPAC Name (3-phenoxyphenyl)methyl (1r,3s)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
Molecular Mass 350.451 g·mol−1
Heat of Formation -309.3 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 448.53 Å 3
Surface Area 361.23 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [3-(phenoxy)phenyl]methyl ester
  • (1r,3s)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid [3-(phenoxy)benzyl] ester
  • [3-(phenoxy)phenyl]methyl (1r,3s)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CAS Number(s)
  • 51186-87-9
InChIKey SBNFWQZLDJGRLK-SFTDATJTSA-N
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