2-(cyclopentyloxy)ethan-1-ol

• ChemBase ID: 256388
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: O(C1CCCC1)CCO
• Canonical SMILES: OCCOC1CCCC1
• InChI: InChI=1S/C7H14O2/c8-5-6-9-7-3-1-2-4-7/h7-8H,1-6H2
• InChIKey: GEPSFEKIUIROFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10686878
• PubChem SID: 164312298
• PubChem CID: 13187520

CALCULATED PROPERTIES

• Acid pKa: 15.120598
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7891493
• LogD (pH = 7.4): 0.7891493
• Log P: 0.7891493
• Molar Refractivity: 35.718 cm^3
• Polarizability: 14.211557 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.726

Product Information

• Purity: 95%