1-oxaspiro[2.6]nonane

• ChemBase ID: 253161
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: O1C2(C1)CCCCCC2
• Canonical SMILES: C1CCCC2(CC1)CO2
• InChI: InChI=1S/C8H14O/c1-2-4-6-8(5-3-1)7-9-8/h1-7H2
• InChIKey: DULNQKPEYCYFFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxaspiro[2.6]nonane
• IUPAC Traditional name: 1-oxaspiro[2.6]nonane
• Synonyms: 1-oxaspiro[2.6]nonane

Database IDs

• CAS Number: 185-85-3
• MDL Number: MFCD08729226
• PubChem SID: 164309071
• PubChem CID: 642941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1206324
• LogD (pH = 7.4): 2.1206324
• Log P: 2.1206324
• Molar Refractivity: 36.5483 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): 2.278

Product Information

• Purity: 95%