1-cyclopentylpentan-1-one

• ChemBase ID: 119116
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: C(=O)(C1CCCC1)CCCC
• Canonical SMILES: CCCCC(=O)C1CCCC1
• InChI: InChI=1S/C10H18O/c1-2-3-8-10(11)9-6-4-5-7-9/h9H,2-8H2,1H3
• InChIKey: RBXGUJOEERWYQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162107316
• PubChem CID: 243077

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3648865
• LogD (pH = 7.4): 3.3648865
• Log P: 3.3648865
• Molar Refractivity: 46.6249 cm^3
• Polarizability: 18.4969 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true