N-{1,4-dioxaspiro[4.5]decan-8-ylidene}hydroxylamine

• ChemBase ID: 255743
• Molecular Formular: C8H13NO3
• Molecular Mass: 171.19372
• Monoisotopic Mass: 171.08954328
• SMILES: C12(OCCO1)CCC(=NO)CC2
• Canonical SMILES: ON=C1CCC2(CC1)OCCO2
• InChI: InChI=1S/C8H13NO3/c10-9-7-1-3-8(4-2-7)11-5-6-12-8/h10H,1-6H2
• InChIKey: MGUVQIFYKYWSGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,4-dioxaspiro[4.5]decan-8-ylidene}hydroxylamine
• IUPAC Traditional name: N-{1,4-dioxaspiro[4.5]decan-8-ylidene}hydroxylamine
• Synonyms: 1,4-dioxaspiro[4.5]decan-8-one oxime

Database IDs

• MDL Number: MFCD09971675
• PubChem SID: 164311653
• PubChem CID: 15336967

CALCULATED PROPERTIES

• Acid pKa: 10.320723
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5785901
• LogD (pH = 7.4): 0.57807785
• Log P: 0.5785966
• Molar Refractivity: 42.9601 cm^3
• Polarizability: 16.873478 Å^3
• Polar Surface Area: 51.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.266

Product Information

• Purity: 95%