2-(cyclopentylmethoxy)ethan-1-ol

• ChemBase ID: 50484
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: OCCOCC1CCCC1
• Canonical SMILES: OCCOCC1CCCC1
• InChI: InChI=1S/C8H16O2/c9-5-6-10-7-8-3-1-2-4-8/h8-9H,1-7H2
• InChIKey: KUUYTISRRGLDEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylmethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(cyclopentylmethoxy)ethanol
• Synonyms: 2-(Cyclopentylmethoxy)-1-ethanol

Database IDs

• MDL Number: MFCD13563030
• PubChem SID: 162055247
• PubChem CID: 53408784

CALCULATED PROPERTIES

• Acid pKa: 15.121301
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.104162
• LogD (pH = 7.4): 1.104162
• Log P: 1.104162
• Molar Refractivity: 40.4488 cm^3
• Polarizability: 16.049152 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false