1-oxaspiro[2.3]hexane

• ChemBase ID: 237567
• Molecular Formular: C5H8O
• Molecular Mass: 84.11642
• Monoisotopic Mass: 84.05751488
• SMILES: O1C2(C1)CCC2
• Canonical SMILES: C1CC2(C1)CO2
• InChI: InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2
• InChIKey: APUDJEBZDAGSQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxaspiro[2.3]hexane
• IUPAC Traditional name: 1-oxaspiro[2.3]hexane
• Synonyms: 1-oxaspiro[2.3]hexane

Database IDs

• MDL Number: MFCD11226850
• PubChem SID: 164293477
• PubChem CID: 529197

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7869264
• LogD (pH = 7.4): 0.7869264
• Log P: 0.7869264
• Molar Refractivity: 22.7453 cm^3
• Polarizability: 9.175129 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.601

Product Information

• Purity: 95%