CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O
Predicted BDE: 80.5 kcal/mol
Similar DFT-Calculated Bonds
C=COCC[C@H](C)C(C)=O
BDE(DFT): 80.5 kcal/molDistance: 0.34
COCC[C@H](C)C(C)=O
BDE(DFT): 80.3 kcal/molDistance: 0.35
CCC[C@H](C)[C@H](C)C(=O)O
BDE(DFT): 80.8 kcal/molDistance: 0.40
CC[C@]1(C)CC(=O)NC1=O
BDE(DFT): 80.8 kcal/molDistance: 0.46
CC[C@H](C)[C@H](C)C(=O)O
BDE(DFT): 80.8 kcal/molDistance: 0.47
CC(=O)[C@H](C)CCC=O
BDE(DFT): 79.5 kcal/molDistance: 0.48
CCC[C@H](C)C(=O)CC
BDE(DFT): 79.9 kcal/molDistance: 0.48
CC1(C)C(=O)C[C@@H]1C(=O)O
BDE(DFT): 80.6 kcal/molDistance: 0.49
CC1(C#N)CCOCC1
BDE(DFT): 81.0 kcal/molDistance: 0.51