2-cyclopropylcyclopentan-1-one

• ChemBase ID: 246775
• Molecular Formular: C8H12O
• Molecular Mass: 124.18028
• Monoisotopic Mass: 124.088815
• SMILES: C1(CC1)C1C(=O)CCC1
• Canonical SMILES: O=C1CCCC1C1CC1
• InChI: InChI=1S/C8H12O/c9-8-3-1-2-7(8)6-4-5-6/h6-7H,1-5H2
• InChIKey: GEJYWQAQZMUVJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylcyclopentan-1-one
• IUPAC Traditional name: 2-cyclopropylcyclopentan-1-one
• Synonyms: 2-cyclopropylcyclopentan-1-one

Database IDs

• MDL Number: MFCD20336065
• PubChem SID: 164302685
• PubChem CID: 15320255

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8544737
• LogD (pH = 7.4): 1.8544737
• Log P: 1.8544737
• Molar Refractivity: 35.5683 cm^3
• Polarizability: 14.0777 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.179

Product Information

• Purity: 95%