3-ethoxyspiro[3.5]nonan-1-ol

• ChemBase ID: 279274
• Molecular Formular: C11H20O2
• Molecular Mass: 184.2753
• Monoisotopic Mass: 184.14632988
• SMILES: C12(C(CC1OCC)O)CCCCC2
• Canonical SMILES: CCOC1CC(C21CCCCC2)O
• InChI: InChI=1S/C11H20O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10,12H,2-8H2,1H3
• InChIKey: XNSLECDIDNVTEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyspiro[3.5]nonan-1-ol
• IUPAC Traditional name: 3-ethoxyspiro[3.5]nonan-1-ol
• Synonyms: 3-ethoxyspiro[3.5]nonan-1-ol

Database IDs

• MDL Number: MFCD20441533
• PubChem SID: 164335184
• PubChem CID: 54595222

CALCULATED PROPERTIES

• Acid pKa: 14.686236
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7008393
• LogD (pH = 7.4): 1.7008393
• Log P: 1.7008393
• Molar Refractivity: 51.9157 cm^3
• Polarizability: 20.842625 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.542

Product Information

• Purity: 95%