CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O
Predicted BDE: 84.4 kcal/mol
Similar DFT-Calculated Bonds
CC1=CC[C@](C)(O)CC1
BDE(DFT): 84.5 kcal/molDistance: 0.14
CC1=C[C@H](C)[C@H](CO)CC1
BDE(DFT): 84.6 kcal/molDistance: 0.18
CC1=CC[C@H](O)CC1
BDE(DFT): 84.5 kcal/molDistance: 0.23
C/C=C\CC1=C(C)CCC1
BDE(DFT): 84.1 kcal/molDistance: 0.25
CC1=C[C@H](C)C[C@H](CO)C1
BDE(DFT): 84.5 kcal/molDistance: 0.25