CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O
Predicted BDE: 91.6 kcal/mol
Similar DFT-Calculated Bonds
COC(=O)[C@H](C)CC#N
BDE(DFT): 91.6 kcal/molDistance: 0.38
CCOC(=O)[C@H](C)CC
BDE(DFT): 91.4 kcal/molDistance: 0.38
CC(C)C(=O)OC/C=C/Cl
BDE(DFT): 92.0 kcal/molDistance: 0.40
CC(C)C(=O)OC/C=C\Cl
BDE(DFT): 91.6 kcal/molDistance: 0.40
CC(C)C(=O)OC[C@@H]1CO1
BDE(DFT): 91.6 kcal/molDistance: 0.40
C=CCOC(=O)C(C)C
BDE(DFT): 91.6 kcal/molDistance: 0.40
CCOC(=O)[C@@H](C)CC
BDE(DFT): 91.4 kcal/molDistance: 0.42
COC(=O)[C@H](C)CC1CC1
BDE(DFT): 91.6 kcal/molDistance: 0.43
CC(C)C(=O)OC1CSC1
BDE(DFT): 91.6 kcal/molDistance: 0.43
CC(C)C(=O)OCCO
BDE(DFT): 92.0 kcal/molDistance: 0.44