CC1=CCC(CC1)C(=C)C (1-methyl-4-prop-1-en-2-ylcyclohexene)
Measured Cetane number: 18.9
Measured using ASTM D6890 IQT. Reference: Dahmen, M. and Marquardt, W., 2015. A novel group contribution method for the prediction of the derived cetane number of oxygenated hydrocarbons. Energy & Fuels, 29(9), pp.5781-5801.
Estimated Cetane number: 19.8
Similar Molecules
SMILES: CC1=CCC(=CC1)C(C)C
Cetane number (measured): 20.3
SMILES: CC(=CCCC(=CCCC(C)(C=C)O)C)C
Cetane number (measured): 19.2
SMILES: CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C
Cetane number (measured): 19.2
SMILES: CC(=CC=C(C)C)C
Cetane number (measured): 19.9
SMILES: CC(=CCCC(=CCO)C)C
Cetane number (measured): 19.3
SMILES: CC(=CCC/C(=C/CO)/C)C
Cetane number (measured): 16.5
SMILES: CC1CCC(C(=O)C1)C(C)C
Cetane number (measured): 20.6
SMILES: C[C@@H]1CC[C@H](C(=O)C1)C(C)C
Cetane number (measured): 20.6
SMILES: C1CCC(CC1)CO
Cetane number (measured): 21.34
SMILES: CCCC(C)(CCC)C1CCCC2CCCCC12
Cetane number (measured): 21.0