3-(methoxymethylidene)oxetane

• ChemBase ID: 65379
• Molecular Formular: C5H8O2
• Molecular Mass: 100.11582
• Monoisotopic Mass: 100.0524295
• SMILES: C1(=COC)COC1
• Canonical SMILES: COC=C1COC1
• InChI: InChI=1S/C5H8O2/c1-6-2-5-3-7-4-5/h2H,3-4H2,1H3
• InChIKey: KIOZXWLYKFVVIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethylidene)oxetane
• IUPAC Traditional name: 3-(methoxymethylidene)oxetane
• Synonyms: 3-(Methoxymethylene)oxetane

Database IDs

• CAS Number: 1313739-05-7
• MDL Number: MFCD18839252
• PubChem SID: 162031118
• PubChem CID: 56777056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.14061864
• LogD (pH = 7.4): -0.14061864
• Log P: -0.14061864
• Molar Refractivity: 26.6995 cm^3
• Polarizability: 10.366585 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%