3-ethoxyspiro[3.4]octan-1-ol

• ChemBase ID: 278323
• Molecular Formular: C10H18O2
• Molecular Mass: 170.24872
• Monoisotopic Mass: 170.13067982
• SMILES: C12(C(CC1OCC)O)CCCC2
• Canonical SMILES: CCOC1CC(C21CCCC2)O
• InChI: InChI=1S/C10H18O2/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9,11H,2-7H2,1H3
• InChIKey: PZDYNJLDLWZXEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyspiro[3.4]octan-1-ol
• IUPAC Traditional name: 3-ethoxyspiro[3.4]octan-1-ol
• Synonyms: 3-ethoxyspiro[3.4]octan-1-ol

Database IDs

• MDL Number: MFCD19982537
• PubChem SID: 164334233
• PubChem CID: 54594855

CALCULATED PROPERTIES

• Acid pKa: 14.686236
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2562706
• LogD (pH = 7.4): 1.2562706
• Log P: 1.2562706
• Molar Refractivity: 47.3147 cm^3
• Polarizability: 19.002613 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.983

Product Information

• Purity: 95%