dimethoxy(2H6)oxolane

• ChemBase ID: 134907
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: C1CC(OC1OC)OC
• Canonical SMILES: COC1CCC(O1)OC
• InChI: InChI=1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3
• InChIKey: GFISDBXSWQMOND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethoxy(^2H₆)oxolane
• IUPAC Traditional name: dimethoxy(^2H₆)oxolane
• Synonyms: 2,5-Dimethoxytetrahydrofuran-2,3,3,4,4,5-d6; 2,5-二甲氧基四氢呋喃-2,3,3,4,4,5-d6

Database IDs

• MDL Number: MFCD04118281
• PubChem SID: 162229183
• PubChem CID: 57608096

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6307491
• LogD (pH = 7.4): 0.6307491
• Log P: 0.6307491
• Molar Refractivity: 32.3365 cm^3
• Polarizability: 13.178978 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 145-147 °C(lit.)
• Density: 1.02 g/mL at 25 °C
• Mass Shift: M+6

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 138.08 by atom % calculation
• Empirical Formula (Hill Notation): C6D6H6O3

DETAILS

Sigma Aldrich - 615781

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.