CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O
Predicted BDE: 108.2 kcal/mol
Similar DFT-Calculated Bonds
C=C(C)[C@@H]1C=C(C)CCC1
BDE(DFT): 108.4 kcal/molDistance: 0.40
C1=CC12CC2
BDE(DFT): 108.5 kcal/molDistance: 0.43
CC1=CCC[P@@]1(C)=O
BDE(DFT): 108.6 kcal/molDistance: 0.47
C1=CC2(C=C1)C=C2
BDE(DFT): 107.6 kcal/molDistance: 0.49
C1=C[C@]2(CCC1)CCCO2
BDE(DFT): 107.5 kcal/molDistance: 0.51
C[C@@]1(C=O)CCC=C[C@@H]1O
BDE(DFT): 108.5 kcal/molDistance: 0.51
C1=CCCOC=C1
BDE(DFT): 107.0 kcal/molDistance: 0.54
C=C1C=CC=CCC1=C
BDE(DFT): 107.0 kcal/molDistance: 0.55