CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O
Predicted BDE: 90.4 kcal/mol
Similar DFT-Calculated Bonds
CC(C)[C@H](C)SCC1CC1
BDE(DFT): 90.3 kcal/molDistance: 0.35
N[C@H]1CS(=O)(=O)C[C@H]1O
BDE(DFT): 90.9 kcal/molDistance: 0.37
CN[C@H](C)C[C@H](C)O
BDE(DFT): 89.6 kcal/molDistance: 0.39
CCC(CC)N1CC(F)C1
BDE(DFT): 90.6 kcal/molDistance: 0.39
CCN1CCS[C@@H](C)CC1
BDE(DFT): 91.4 kcal/molDistance: 0.39
CCC[C@H](N)CCCN
BDE(DFT): 90.7 kcal/molDistance: 0.39
CCN1CC[C@H](N)[C@H](F)C1
BDE(DFT): 90.7 kcal/molDistance: 0.40
N[C@@H]1CC[C@@H]2SCCS[C@H]12
BDE(DFT): 90.1 kcal/molDistance: 0.40
C=CC[C@@H](C)SCCO
BDE(DFT): 90.7 kcal/molDistance: 0.40
C[C@@H]1OC(=O)N(C)[C@H]1C
BDE(DFT): 90.1 kcal/molDistance: 0.40