1-oxaspiro[2.4]heptane

• ChemBase ID: 279463
• Molecular Formular: C6H10O
• Molecular Mass: 98.143
• Monoisotopic Mass: 98.07316494
• SMILES: O1C2(C1)CCCC2
• Canonical SMILES: C1CCC2(C1)CO2
• InChI: InChI=1S/C6H10O/c1-2-4-6(3-1)5-7-6/h1-5H2
• InChIKey: FQKVQCUFRWNQDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxaspiro[2.4]heptane
• IUPAC Traditional name: 1-oxaspiro[2.4]heptane
• Synonyms: 1-oxaspiro[2.4]heptane

Database IDs

• MDL Number: MFCD17218349
• PubChem SID: 164335373
• PubChem CID: 637991

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.231495
• LogD (pH = 7.4): 1.231495
• Log P: 1.231495
• Molar Refractivity: 27.3463 cm^3
• Polarizability: 11.014343 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.16

Product Information

• Purity: 95%