2-{2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl}oxirane

• ChemBase ID: 40295
• Molecular Formular: C9H14O4
• Molecular Mass: 186.20506
• Monoisotopic Mass: 186.08920893
• SMILES: C12C(C3OC3)OCC1OC(O2)(C)C
• Canonical SMILES: CC1(C)OC2C(O1)C(OC2)C1CO1
• InChI: InChI=1S/C9H14O4/c1-9(2)12-6-4-11-7(5-3-10-5)8(6)13-9/h5-8H,3-4H2,1-2H3
• InChIKey: TZCGMHLATFFNHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl}oxirane
• IUPAC Traditional name: 2-{2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl}oxirane
• Synonyms: 2,2-Dimethyl-4-(2-oxiranyl)tetrahydrofuro-[3,4-d][1,3]dioxole; 2,2-dimethyl-4-(2-oxiranyl)tetrahydrofuro[3,4-d][1,3]dioxole

Database IDs

• CAS Number: 226709-43-9
• MDL Number: MFCD03425721
• PubChem SID: 162045058
• PubChem CID: 2763437

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2958129
• LogD (pH = 7.4): 0.2958129
• Log P: 0.2958129
• Molar Refractivity: 43.5904 cm^3
• Polarizability: 17.980991 Å^3
• Polar Surface Area: 40.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 82 °C; 81-82°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%