4-(oxiran-2-ylmethoxy)oxane

• ChemBase ID: 237208
• Molecular Formular: C8H14O3
• Molecular Mass: 158.19496
• Monoisotopic Mass: 158.09429431
• SMILES: O1C(C1)COC1CCOCC1
• Canonical SMILES: O1CCC(CC1)OCC1CO1
• InChI: InChI=1S/C8H14O3/c1-3-9-4-2-7(1)10-5-8-6-11-8/h7-8H,1-6H2
• InChIKey: QXKMLCCQTVGXQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxiran-2-ylmethoxy)oxane
• IUPAC Traditional name: 4-(oxiran-2-ylmethoxy)oxane
• Synonyms: 4-(oxiran-2-ylmethoxy)oxane

Database IDs

• MDL Number: MFCD14614933
• PubChem SID: 164293118
• PubChem CID: 61287780

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.07299785
• LogD (pH = 7.4): -0.07299785
• Log P: -0.07299785
• Molar Refractivity: 40.2327 cm^3
• Polarizability: 16.122322 Å^3
• Polar Surface Area: 30.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.711

Product Information

• Purity: 95%