1,6-dioxaspiro[2.5]octane

• ChemBase ID: 240473
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: O1C2(C1)CCOCC2
• Canonical SMILES: O1CCC2(CC1)CO2
• InChI: InChI=1S/C6H10O2/c1-3-7-4-2-6(1)5-8-6/h1-5H2
• InChIKey: DMADJUKSPHZYSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-dioxaspiro[2.5]octane
• IUPAC Traditional name: 1,6-dioxaspiro[2.5]octane
• Synonyms: 1,6-dioxaspiro[2.5]octane

Database IDs

• CAS Number: 185-72-8
• MDL Number: MFCD01730206
• PubChem SID: 164296383
• PubChem CID: 160439

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.1620207
• LogD (pH = 7.4): -0.1620207
• Log P: -0.1620207
• Molar Refractivity: 29.4086 cm^3
• Polarizability: 11.73021 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.68

Product Information

• Purity: 95%; 95+%