CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O
Predicted BDE: 93.7 kcal/mol
Similar DFT-Calculated Bonds
C[C@@H]1CC[C@H](O)C[C@@H]1C
BDE(DFT): 93.5 kcal/molDistance: 0.14
C[C@@H]1CC2CCC1(C)CC2
BDE(DFT): 93.9 kcal/molDistance: 0.16
C[C@@H]1CCC[C@@H]1N
BDE(DFT): 93.8 kcal/molDistance: 0.22
C[C@@H]1CCC(C)(C)C[C@@H]1C
BDE(DFT): 93.8 kcal/molDistance: 0.26
CC[C@@H]1CCC[C@]1(C)O
BDE(DFT): 93.6 kcal/molDistance: 0.26
N[C@@H]1C[C@@H]1C1CCCCC1
BDE(DFT): 93.3 kcal/molDistance: 0.27
CCN(C)[C@H](C)C(C)C
BDE(DFT): 93.5 kcal/molDistance: 0.28
CC(C)[C@H](C)N(C)CCF
BDE(DFT): 94.2 kcal/molDistance: 0.28
COC(=O)[C@@H]1CC[C@@H](C)C1
BDE(DFT): 93.5 kcal/molDistance: 0.28
O=C1C[C@@H]2CC=CC[C@@H]2C1
BDE(DFT): 93.9 kcal/molDistance: 0.28