2,5,8,11,14,17,20-heptaoxadocosan-22-ol

• ChemBase ID: 139797
• Molecular Formular: C15H32O8
• Molecular Mass: 340.40978
• Monoisotopic Mass: 340.20971798
• SMILES: COCCOCCOCCOCCOCCOCCOCCO
• Canonical SMILES: COCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C15H32O8/c1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16/h16H,2-15H2,1H3
• InChIKey: AGWKUHGLWHMYTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,8,11,14,17,20-heptaoxadocosan-22-ol
• IUPAC Traditional name: 2,5,8,11,14,17,20-heptaoxadocosan-22-ol
• Synonyms: 2,5,8,11,14,17,20-Heptaoxadocosan-22-ol; Methoxyheptaethylene glycol; Monomethoxy-PEG (n=7); O-Methyl-heptaethylene glycol; 七乙氧基乙二醇单甲醚; 单甲氧基聚乙二醇 (n=7); 七甘醇单甲醚

Database IDs

• CAS Number: 4437-01-8
• MDL Number: MFCD06201006
• PubChem SID: 162234045; 24866155
• PubChem CID: 526555

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -0.8474056
• LogD (pH = 7.4): -0.8474056
• Log P: -0.8474056
• Molar Refractivity: 85.5658 cm^3
• Polarizability: 33.959324 Å^3
• Polar Surface Area: 84.84 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥95% (oligomer purity); 95+%
• Linear Formula: HO(CH2CH2O)7CH3

DETAILS

Sigma Aldrich - 41749

Packaging
1 g in poly tube