2-Isobutyrylcyclohexanone

• CAS: 39207-65-3
• Catalog Number: ACM39207653-1
• Category: Other Products
• Molecular Weight: 168.23
• Molecular Formula: C10H16O2
• Synonyms: 2-(2-Methyl-1-oxopropyl)cyclohexanone
• IUPAC Name: 2-(2-methylpropanoyl)cyclohexan-1-one
• 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
• 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