4,4-Dimethylcyclohexyl Diphenylacetate

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Properties Simple | Detailed

Formula C22H26O2
IUPAC Name (4,4-dimethylcyclohexyl) 2,2-diphenylacetate
Molecular Mass 322.441 g·mol−1
Heat of Formation -313.4 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 417.86 Å 3
Surface Area 361.58 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (4,4-dimethylcyclohexyl) 2,2-di(phenyl)acetate
  • (4,4-dimethylcyclohexyl) 2,2-di(phenyl)ethanoate
  • 2,2-di(phenyl)acetic acid (4,4-dimethylcyclohexyl) ester
  • 4-diphenylacetoxy-1,1-dimethylcyclohexane
  • benzeneacetic acid, alpha-phenyl-, 4,4-dimethylcyclohexyl ester
  • carbo-4-damp
CAS Number(s)
  • 144396-37-2
InChIKey MHKROVHGKYIJKX-UHFFFAOYSA-N
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