6-methyl-1-oxaspiro[2.5]octane

• ChemBase ID: 279178
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: O1C2(C1)CCC(CC2)C
• Canonical SMILES: CC1CCC2(CC1)CO2
• InChI: InChI=1S/C8H14O/c1-7-2-4-8(5-3-7)6-9-8/h7H,2-6H2,1H3
• InChIKey: QWEHPDHDKIVFDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1-oxaspiro[2.5]octane
• IUPAC Traditional name: 6-methyl-1-oxaspiro[2.5]octane
• Synonyms: 6-methyl-1-oxaspiro[2.5]octane

Database IDs

• MDL Number: MFCD17218347
• PubChem SID: 164335088
• PubChem CID: 14616896

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9630828
• LogD (pH = 7.4): 1.9630828
• Log P: 1.9630828
• Molar Refractivity: 36.4959 cm^3
• Polarizability: 14.698139 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.238

Product Information

• Purity: 95%