2-[(oxiran-2-ylmethoxy)methyl]oxolane

• ChemBase ID: 234380
• Molecular Formular: C8H14O3
• Molecular Mass: 158.19496
• Monoisotopic Mass: 158.09429431
• SMILES: O1C(C1)COCC1OCCC1
• Canonical SMILES: C1COC(C1)COCC1CO1
• InChI: InChI=1S/C8H14O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h7-8H,1-6H2
• InChIKey: BTBGDFGJZOTWNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(oxiran-2-ylmethoxy)methyl]oxolane
• IUPAC Traditional name: 2-[(oxiran-2-ylmethoxy)methyl]oxolane
• Synonyms: 2-[(oxiran-2-ylmethoxy)methyl]tetrahydrofuran

Database IDs

• CAS Number: 19070-63-4
• MDL Number: MFCD06357350
• PubChem SID: 164290290
• PubChem CID: 86822

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.38440508
• LogD (pH = 7.4): 0.38440508
• Log P: 0.38440508
• Molar Refractivity: 40.0119 cm^3
• Polarizability: 16.122322 Å^3
• Polar Surface Area: 30.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.3

Product Information

• Purity: 95%