1,1,6,6-tetramethoxyhexane

• ChemBase ID: 138057
• Molecular Formular: C10H22O4
• Molecular Mass: 206.27928
• Monoisotopic Mass: 206.15180918
• SMILES: COC(CCCCC(OC)OC)OC
• Canonical SMILES: COC(CCCCC(OC)OC)OC
• InChI: InChI=1S/C10H22O4/c1-11-9(12-2)7-5-6-8-10(13-3)14-4/h9-10H,5-8H2,1-4H3
• InChIKey: RLIGZIPVXNQITD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,6,6-tetramethoxyhexane
• IUPAC Traditional name: 1,1,6,6-tetramethoxyhexane
• Synonyms: 1,1,6,6-Tetramethoxyhexane; 1,1,6,6-四甲氧基己烷

Database IDs

• CAS Number: 54286-89-4
• MDL Number: MFCD00082186
• PubChem SID: 162232316
• PubChem CID: 3016868

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6444359
• LogD (pH = 7.4): 1.6444359
• Log P: 1.6444359
• Molar Refractivity: 54.551 cm^3
• Polarizability: 21.943861 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C10H22O4