CC1=CCC(=CC1)C(C)C (1-methyl-4-propan-2-ylcyclohexa-1,4-diene)
Measured Cetane number: 20.3
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: 20.3
Similar Molecules
SMILES: CC1=CCC(CC1)C(=C)C
Cetane number (measured): 18.9
SMILES: CCCC(C)(CCC)C1CCCC2CCCCC12
Cetane number (measured): 21.0
SMILES: CC(=CC=C(C)C)C
Cetane number (measured): 19.9
SMILES: C1CCC(CC1)CO
Cetane number (measured): 21.34
SMILES: C1CCC(=O)CC1
Cetane number (measured): 10.4
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: CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C
Cetane number (measured): 19.2
SMILES: CC(=CCCC(=CCCC(C)(C=C)O)C)C
Cetane number (measured): 19.2
SMILES: CC1CCCO1
Cetane number (measured): 21.3