3-(cyclopentyloxy)propan-1-ol

• ChemBase ID: 256386
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: C(CO)COC1CCCC1
• Canonical SMILES: OCCCOC1CCCC1
• InChI: InChI=1S/C8H16O2/c9-6-3-7-10-8-4-1-2-5-8/h8-9H,1-7H2
• InChIKey: DLDHSVKYOQURCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentyloxy)propan-1-ol
• IUPAC Traditional name: 3-(cyclopentyloxy)propan-1-ol
• Synonyms: 3-(cyclopentyloxy)propan-1-ol

Database IDs

• MDL Number: MFCD10686876
• PubChem SID: 164312296
• PubChem CID: 13449958

CALCULATED PROPERTIES

• Acid pKa: 15.89969
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.84910905
• LogD (pH = 7.4): 0.84910905
• Log P: 0.84910905
• Molar Refractivity: 40.5834 cm^3
• Polarizability: 16.049152 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.047

Product Information

• Purity: 95%