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CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O

Predicted BDE: 101.6 kcal/mol

Similar DFT-Calculated Bonds

COc1c(C)cncc1N

BDE(DFT): 101.3 kcal/mol
Distance: 0.25

CC1=CCNC(=O)C1

BDE(DFT): 101.8 kcal/mol
Distance: 0.28

COC1=C[C@H](C)C=C(C)C1

BDE(DFT): 101.7 kcal/mol
Distance: 0.30

CCC1=CCC(C)=CC1

BDE(DFT): 101.6 kcal/mol
Distance: 0.32

CC1=CCC(C)=C(C)C1

BDE(DFT): 101.6 kcal/mol
Distance: 0.33

CC1=CCC(C)=CC1

BDE(DFT): 101.6 kcal/mol
Distance: 0.35

CC1=CCN(O)CC1

BDE(DFT): 101.9 kcal/mol
Distance: 0.36

CC1=CCC(F)(F)CC1

BDE(DFT): 101.8 kcal/mol
Distance: 0.36

CC1=C[C@H](O)OCC1

BDE(DFT): 101.5 kcal/mol
Distance: 0.37