cyclopentane-1,2,3,4,5-pentone

• ChemBase ID: 126813
• Molecular Formular: C5O5
• Molecular Mass: 140.0505
• Monoisotopic Mass: 139.9745731
• SMILES: O=C1C(=O)C(=O)C(=O)C1=O
• Canonical SMILES: O=C1C(=O)C(=O)C(=O)C1=O
• InChI: InChI=1S/C5O5/c6-1-2(7)4(9)5(10)3(1)8
• InChIKey: YVVXMBHAKNKELS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentane-1,2,3,4,5-pentone
• IUPAC Systematic name: Cyclopentane-1,2,3,4,5-pentone
• IUPAC Traditional name: cyclopentanepentone
• Synonyms: Leuconic acid; Cyclopentanepentone

Database IDs

• CAS Number: 3617-57-0
• PubChem SID: 162221140
• PubChem CID: 12305030
• Chemspider ID: 16788087
• Wikipedia Title: Cyclopentanepentone

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4460983
• LogD (pH = 7.4): 1.4460983
• Log P: 1.4460983
• Molar Refractivity: 26.73 cm^3
• Polarizability: 9.986766 Å^3
• Polar Surface Area: 85.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true