spiro[2.6]nonan-4-one

• ChemBase ID: 797865
• Molecular Formular: C9H14O
• Molecular Mass: 138.20686
• Monoisotopic Mass: 138.10446507
• SMILES: C1CC21C(=O)CCCCC2
• Canonical SMILES: O=C1CCCCCC21CC2
• InChI: InChI=1S/C9H14O/c10-8-4-2-1-3-5-9(8)6-7-9/h1-7H2
• InChIKey: IARUQYVDPDQGHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: spiro[2.6]nonan-4-one
• IUPAC Traditional name: spiro[2.6]nonan-4-one
• Synonyms: Spiro[2.6]nonan-4-one

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5680375
• LogD (pH = 7.4): 2.5680375
• Log P: 2.5680375
• Molar Refractivity: 40.1217 cm^3
• Polarizability: 15.920088 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%