3-(2-methylpropoxy)propan-1-ol

• ChemBase ID: 283888
• Molecular Formular: C7H16O2
• Molecular Mass: 132.20074
• Monoisotopic Mass: 132.11502975
• SMILES: C(CO)COCC(C)C
• Canonical SMILES: OCCCOCC(C)C
• InChI: InChI=1S/C7H16O2/c1-7(2)6-9-5-3-4-8/h7-8H,3-6H2,1-2H3
• InChIKey: BUIXEGYUDCDLCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpropoxy)propan-1-ol
• IUPAC Traditional name: 3-(2-methylpropoxy)propan-1-ol
• Synonyms: 3-(2-methylpropoxy)propan-1-ol

Database IDs

• MDL Number: MFCD01696836
• PubChem SID: 180669419
• PubChem CID: 118605

CALCULATED PROPERTIES

• Molar Refractivity: 37.9144 cm^3
• Polarizability: 14.934643 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.89971
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.73871034
• LogD (pH = 7.4): 0.73871034
• Log P: 0.73871034

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.032

Product Information

• Purity: 95%