1-cyclopentyl-2-methoxyethan-1-one

• ChemBase ID: 244433
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C(=O)(C1CCCC1)COC
• Canonical SMILES: COCC(=O)C1CCCC1
• InChI: InChI=1S/C8H14O2/c1-10-6-8(9)7-4-2-3-5-7/h7H,2-6H2,1H3
• InChIKey: PYPUDSQLJBSGCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-2-methoxyethan-1-one
• IUPAC Traditional name: 1-cyclopentyl-2-methoxyethanone
• Synonyms: 1-cyclopentyl-2-methoxyethan-1-one

Database IDs

• MDL Number: MFCD11555828
• PubChem SID: 164300343
• PubChem CID: 13108541

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6010919
• LogD (pH = 7.4): 1.6010919
• Log P: 1.6010919
• Molar Refractivity: 39.2494 cm^3
• Polarizability: 15.5047455 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.164

Product Information

• Purity: 95%