2-{2-[2-(2H9)butoxyethoxy]ethoxy}oxane

• ChemBase ID: 163162
• Molecular Formular: C13H26O4
• Molecular Mass: 246.34314
• Monoisotopic Mass: 246.18310931
• SMILES: C1CCCC(O1)OCCOCCOCCCC
• Canonical SMILES: CCCCOCCOCCOC1CCCCO1
• InChI: InChI=1S/C13H26O4/c1-2-3-7-14-9-10-15-11-12-17-13-6-4-5-8-16-13/h13H,2-12H2,1H3
• InChIKey: IQQBHEHGOZAWPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(^2H₉)butoxyethoxy]ethoxy}oxane
• IUPAC Traditional name: 2-{2-[2-(^2H₉)butoxyethoxy]ethoxy}oxane
• Synonyms: 2-[2-(2-butoxyethoxy)ethoxy]tetrahydro-2H-pyran-d9; 2-[2-(2-Butoxyethoxy)ethoxy]tetrahydropyran-d9

Database IDs

• PubChem SID: 162257297
• PubChem CID: 71314337

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2550647
• LogD (pH = 7.4): 2.2550647
• Log P: 2.2550647
• Molar Refractivity: 67.0066 cm^3
• Polarizability: 26.728863 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Colorless Oil

DETAILS

Toronto Research Chemicals - B690587

Used in the preparation of Piperonyl Butoxide-d9 (P490202).