6-(dimethylamino)hexan-2-one

• ChemBase ID: 248947
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: O=C(CCCCN(C)C)C
• Canonical SMILES: CN(CCCCC(=O)C)C
• InChI: InChI=1S/C8H17NO/c1-8(10)6-4-5-7-9(2)3/h4-7H2,1-3H3
• InChIKey: QEWONZQIQAAOGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)hexan-2-one
• IUPAC Traditional name: 6-(dimethylamino)hexan-2-one
• Synonyms: 6-(dimethylamino)hexan-2-one

Database IDs

• MDL Number: MFCD12058287
• PubChem SID: 164304857
• PubChem CID: 10931548

CALCULATED PROPERTIES

• Acid pKa: 19.642874
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.2743993
• LogD (pH = 7.4): -0.7238835
• Log P: 0.9680209
• Molar Refractivity: 43.6792 cm^3
• Polarizability: 17.06628 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.174

Product Information

• Purity: 95%