methyl 2-[(E)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)diazen-1-yl]-2-methylpropanoate

• ChemBase ID: 287189
• Molecular Formular: C10H18N2O4
• Molecular Mass: 230.26092
• Monoisotopic Mass: 230.12665707
• SMILES: CC(/N=N/C(C)(C)C(=O)OC)(C)C(=O)OC
• Canonical SMILES: COC(=O)C(/N=N/C(C(=O)OC)(C)C)(C)C
• InChI: InChI=1S/C10H18N2O4/c1-9(2,7(13)15-5)11-12-10(3,4)8(14)16-6/h1-6H3/b12-11+
• InChIKey: ZQMHJBXHRFJKOT-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(E)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)diazen-1-yl]-2-methylpropanoate
• IUPAC Traditional name: methyl 2-[(E)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)diazen-1-yl]-2-methylpropanoate
• Synonyms: Dimethyl 2,2'-(diazene-1,2-diyl)bis(2-methylpropanoate)

Database IDs

• CAS Number: 2589-57-3
• MDL Number: MFCD00085253
• PubChem SID: 180672720
• PubChem CID: 75763

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4462584
• LogD (pH = 7.4): 1.4462584
• Log P: 1.4462584
• Molar Refractivity: 56.9152 cm^3
• Polarizability: 22.475769 Å^3
• Polar Surface Area: 77.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%