1-cyclopentyloctan-1-one

• ChemBase ID: 119077
• Molecular Formular: C13H24O
• Molecular Mass: 196.32906
• Monoisotopic Mass: 196.18271539
• SMILES: C(=O)(C1CCCC1)CCCCCCC
• Canonical SMILES: CCCCCCCC(=O)C1CCCC1
• InChI: InChI=1S/C13H24O/c1-2-3-4-5-6-11-13(14)12-9-7-8-10-12/h12H,2-11H2,1H3
• InChIKey: MRBKZVGREYJKDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyloctan-1-one
• IUPAC Traditional name: 1-cyclopentyloctan-1-one
• Synonyms: 1-cyclopentyloctan-1-one

Database IDs

• PubChem SID: 162107282
• PubChem CID: 1738153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6985927
• LogD (pH = 7.4): 4.6985927
• Log P: 4.6985927
• Molar Refractivity: 60.4279 cm^3
• Polarizability: 24.032774 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true