6-oxaspiro[2.5]octan-1-ylmethanol

• ChemBase ID: 237474
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C12(CC1CO)CCOCC2
• Canonical SMILES: OCC1CC21CCOCC2
• InChI: InChI=1S/C8H14O2/c9-6-7-5-8(7)1-3-10-4-2-8/h7,9H,1-6H2
• InChIKey: JKZFXRMBOOPAPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxaspiro[2.5]octan-1-ylmethanol
• IUPAC Traditional name: 6-oxaspiro[2.5]octan-1-ylmethanol
• Synonyms: 6-oxaspiro[2.5]octan-1-ylmethanol

Database IDs

• MDL Number: MFCD22369959
• PubChem SID: 164293384
• PubChem CID: 71755939

CALCULATED PROPERTIES

• Acid pKa: 17.444408
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.026550073
• LogD (pH = 7.4): 0.02655009
• Log P: 0.02655009
• Molar Refractivity: 38.7763 cm^3
• Polarizability: 15.3269205 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.199

Product Information

• Purity: 95%