bis(prop-2-en-1-yl) oxalate

• ChemBase ID: 278101
• Molecular Formular: C8H10O4
• Molecular Mass: 170.1626
• Monoisotopic Mass: 170.0579088
• SMILES: C(=O)(C(=O)OCC=C)OCC=C
• Canonical SMILES: C=CCOC(=O)C(=O)OCC=C
• InChI: InChI=1S/C8H10O4/c1-3-5-11-7(9)8(10)12-6-4-2/h3-4H,1-2,5-6H2
• InChIKey: BKXRKRANFLFTFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(prop-2-en-1-yl) oxalate
• IUPAC Traditional name: bis(prop-2-en-1-yl) oxalate
• Synonyms: bis(prop-2-en-1-yl) oxalate

Database IDs

• MDL Number: MFCD00053698
• PubChem SID: 164334011
• PubChem CID: 69215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9572029
• LogD (pH = 7.4): 1.9572029
• Log P: 1.9572029
• Molar Refractivity: 42.3022 cm^3
• Polarizability: 16.568838 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.38

Product Information

• Purity: 95%