1,3,6-dioxazocane

• ChemBase ID: 238472
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: N1CCOCOCC1
• Canonical SMILES: C1OCCNCCO1
• InChI: InChI=1S/C5H11NO2/c1-3-7-5-8-4-2-6-1/h6H,1-5H2
• InChIKey: WNZTUPZDDWBVIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,6-dioxazocane
• IUPAC Traditional name: 1,3,6-dioxazocane
• Synonyms: 1,3,6-dioxazocane

Database IDs

• MDL Number: MFCD19225458
• PubChem SID: 164294382
• PubChem CID: 15473637

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3988254
• LogD (pH = 7.4): -1.9474523
• Log P: -0.3482535
• Molar Refractivity: 29.6209 cm^3
• Polarizability: 12.143482 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.569

Product Information

• Purity: 95%