2,2-dimethyloxolane

• ChemBase ID: 295092
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: CC1(CCCO1)C
• Canonical SMILES: CC1(C)CCCO1
• InChI: InChI=1S/C6H12O/c1-6(2)4-3-5-7-6/h3-5H2,1-2H3
• InChIKey: ZPDIRKNRUWXYLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyloxolane
• IUPAC Traditional name: 2,2-dimethyloxolane
• Synonyms: 2,2-Dimethyltetrahydrofuran; 2,2-二甲基四氢呋喃

Database IDs

• CAS Number: 1003-17-4
• MDL Number: MFCD00060904
• PubChem SID: 180680623
• PubChem CID: 136791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2274987
• LogD (pH = 7.4): 1.2274987
• Log P: 1.2274987
• Molar Refractivity: 29.6105 cm^3
• Polarizability: 11.74312 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: UN3271
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11
• Safety Statements: 7-33-60
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H224
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 99%