2-[2-(oxan-2-yloxy)ethoxy]ethan-1-ol

• ChemBase ID: 178401
• Molecular Formular: C9H18O4
• Molecular Mass: 190.23682
• Monoisotopic Mass: 190.12050906
• SMILES: C1CCOC(C1)OCCOCCO
• Canonical SMILES: OCCOCCOC1CCCCO1
• InChI: InChI=1S/C9H18O4/c10-4-6-11-7-8-13-9-3-1-2-5-12-9/h9-10H,1-8H2
• InChIKey: CPCUDERUJBARLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(oxan-2-yloxy)ethoxy]ethan-1-ol
• IUPAC Traditional name: 2-[2-(oxan-2-yloxy)ethoxy]ethanol
• Synonyms: 2-[2-(Tetrahydropyranyloxy)ethoxy]ethanol; Diethylene Glycol Mono(tetrahydro-2-pyranyl) Ether; Tetrahydropyranyldiethyleneglycol

Database IDs

• CAS Number: 2163-11-3
• PubChem SID: 164234311
• PubChem CID: 558984

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.28803915
• LogD (pH = 7.4): 0.28803915
• Log P: 0.28803915
• Molar Refractivity: 48.3818 cm^3
• Polarizability: 19.329489 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate
• Apperance: Colourless Oil