1-({1-[(1-methoxypropan-2-yl)oxy]propan-2-yl}oxy)propan-2-ol

• ChemBase ID: 287538
• Molecular Formular: C10H22O4
• Molecular Mass: 206.27928
• Monoisotopic Mass: 206.15180918
• SMILES: CC(O)COC(C)COC(C)COC
• Canonical SMILES: COCC(OCC(OCC(O)C)C)C
• InChI: InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3
• InChIKey: HPFDGTFXAVIVTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({1-[(1-methoxypropan-2-yl)oxy]propan-2-yl}oxy)propan-2-ol
• IUPAC Traditional name: 1-({1-[(1-methoxypropan-2-yl)oxy]propan-2-yl}oxy)propan-2-ol
• Synonyms: 1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol

Database IDs

• CAS Number: 20324-33-8
• MDL Number: MFCD00059142
• PubChem SID: 180673069
• PubChem CID: 30111

CALCULATED PROPERTIES

• Acid pKa: 14.852867
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.59022146
• LogD (pH = 7.4): 0.59022146
• Log P: 0.59022146
• Molar Refractivity: 54.6482 cm^3
• Polarizability: 21.87372 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%