2-(3-methylbutoxy)ethan-1-ol

• ChemBase ID: 261550
• Molecular Formular: C7H16O2
• Molecular Mass: 132.20074
• Monoisotopic Mass: 132.11502975
• SMILES: OCCOCCC(C)C
• Canonical SMILES: OCCOCCC(C)C
• InChI: InChI=1S/C7H16O2/c1-7(2)3-5-9-6-4-8/h7-8H,3-6H2,1-2H3
• InChIKey: NCHBYORVPVDWBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutoxy)ethan-1-ol
• IUPAC Traditional name: 2-(3-methylbutoxy)ethanol
• Synonyms: 2-(3-methylbutoxy)ethan-1-ol

Database IDs

• MDL Number: MFCD12545833
• PubChem SID: 164317460
• PubChem CID: 526908

CALCULATED PROPERTIES

• Acid pKa: 15.12132
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0453656
• LogD (pH = 7.4): 1.0453656
• Log P: 1.0453656
• Molar Refractivity: 37.727 cm^3
• Polarizability: 14.934643 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.24

Product Information

• Purity: 95%