SMILES: CCC[C@@H](CC)C1CCCCC1
Cetane number (measured): 35.88

SMILES: C1CCC2CCCCC2C1
Cetane number (measured): 37.4

SMILES: C1CC[C@H]2CCCC[C@@H]2C1
Cetane number (measured): 31.8

SMILES: C1CC[C@@H]2CCCC[C@@H]2C1
Cetane number (measured): 39.4

SMILES: CCC/C=C\CCC
Cetane number (measured): 36.55

SMILES: CCCC/C=C\CC
Cetane number (measured): 38.1

SMILES: CCCCC=CCC
Cetane number (measured): 36.0

SMILES: CCCC/C=C/CC
Cetane number (measured): 34.0

SMILES: CCCC/C=C\C
Cetane number (measured): 44.36

SMILES: CCCCC=CC
Cetane number (measured): 44.36