2,5,7,10-tetraoxaundecane

• ChemBase ID: 302493
• Molecular Formular: C7H16O4
• Molecular Mass: 164.19954
• Monoisotopic Mass: 164.10485899
• SMILES: COCCOCOCCOC
• Canonical SMILES: COCCOCOCCOC
• InChI: InChI=1S/C7H16O4/c1-8-3-5-10-7-11-6-4-9-2/h3-7H2,1-2H3
• InChIKey: QWRBKBNCFWPVJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,7,10-tetraoxaundecane
• IUPAC Traditional name: 2,5,7,10-tetraoxaundecane
• Synonyms: Formaldehyde 2-methoxyethyl acetal; 2,5,7,10-Tetraoxaundecane; Bis(2-methoxyethoxy)methane; 双(2-甲氧基乙氧基)甲烷

Database IDs

• CAS Number: 4431-83-8
• EC Number: 224-631-8
• MDL Number: MFCD00043945
• Beilstein Number: 1700087

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.09372385
• LogD (pH = 7.4): 0.093723856
• Log P: 0.093723856
• Molar Refractivity: 40.9525 cm^3
• Polarizability: 16.45576 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60°C/1.5mm
• Density: 0.995
• Refractive Index: 1.4140

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%