CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O
Predicted BDE: 93.8 kcal/mol
Similar DFT-Calculated Bonds
CC[C@@H](C)SC1=NCCS1
BDE(DFT): 94.2 kcal/molDistance: 0.32
C[C@@H]1CC(=O)[C@@H]2O[C@]2(C)C1
BDE(DFT): 93.8 kcal/molDistance: 0.40
CCC[C@H](CO)CC(C)C
BDE(DFT): 94.2 kcal/molDistance: 0.40
CC[C@H](C)Sc1ncco1
BDE(DFT): 94.0 kcal/molDistance: 0.41
CC[C@H](C)Sc1ncn[nH]1
BDE(DFT): 93.7 kcal/molDistance: 0.42
CC[C@@H](CO)[C@@H](S)C(C)C
BDE(DFT): 94.1 kcal/molDistance: 0.44
S=C1N[C@@H]2CCCC[C@H]2S1
BDE(DFT): 93.8 kcal/molDistance: 0.45
CC1CC(=O)C(=O)C1
BDE(DFT): 94.0 kcal/molDistance: 0.46
C[C@H]1COC[C@H]1C
BDE(DFT): 93.7 kcal/molDistance: 0.47
C[C@H]1COC[C@H]1C
BDE(DFT): 93.7 kcal/molDistance: 0.47