C[C@@H]1CC[C@H](C(=O)C1)C(C)C ((2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one)
Measured Cetane number: 20.6
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: C[C@@H]1CC[C@H](C(=O)C1)C(C)C
Cetane number (measured): 20.6
SMILES: CC1=CCC(=CC1)C(C)C
Cetane number (measured): 20.3
SMILES: CC(C)C=O
Cetane number (measured): 21.1
SMILES: C1CCC(=O)CC1
Cetane number (measured): 10.4
SMILES: CC1CCCO1
Cetane number (measured): 21.3
SMILES: CC1=CCC(CC1)C(=C)C
Cetane number (measured): 18.9
SMILES: CCCC(C)C(=O)C
Cetane number (measured): 18.7
SMILES: CC1(C2CCC(O1)(CC2)C)C
Cetane number (measured): 18.8
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