2-cyclopentylcyclopentan-1-one

• ChemBase ID: 302290
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: C1CCC(C1)C1CCCC1=O
• Canonical SMILES: O=C1CCCC1C1CCCC1
• InChI: InChI=1S/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2
• InChIKey: CWZGKTMWPFTJCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylcyclopentan-1-one
• IUPAC Traditional name: 1,1'-bicyclopentyl -2-one
• Synonyms: 2-Cyclopentylcyclopentanone; 2-环戊基环戊酮

Database IDs

• CAS Number: 4884-24-6
• EC Number: 225-495-2
• MDL Number: MFCD00051419
• Beilstein Number: 1306869

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.743611
• LogD (pH = 7.4): 2.743611
• Log P: 2.743611
• Molar Refractivity: 44.7703 cm^3
• Polarizability: 17.763361 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 230-233°C
• Flash Point: 104°C(219°F)
• Density: 0.980
• Refractive Index: 1.4780

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99%