Synonyms
2-(2-Methyl-1-oxopropyl)cyclohexanone
IUPAC Name
2-(2-methylpropanoyl)cyclohexan-1-one
Molecular Weight
168.23
Molecular Formula
C10H16O2
Canonical SMILES
CC(C)C(=O)C1CCCCC1=O;
InChI
PFOYYSGBGILOQZ-UHFFFAOYSA-N
InChI Key
InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
Boiling Point
266 °C
Melting Point
38 °C
Flash Point
104.4 °C
Purity
97%
Density
1.0076 g/cm3 at 25 °C
Appearance
Colorless liquid
Complexity
194
Covalently-Bonded Unit Count
1
Exact Mass
168.115g/mol
H-Bond Acceptor
2
Heavy Atom Count
12
Isomeric SMILES
CC(C)C(=O)C1CCCCC1=O
Monoisotopic Mass
168.115g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
34.1A^2
Undefined Atom Stereocenter Count
1
