3-(2-methylprop-2-en-1-yl)oxolane-2,5-dione

• ChemBase ID: 145992
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: CC(=C)CC1CC(=O)OC1=O
• Canonical SMILES: CC(=C)CC1CC(=O)OC1=O
• InChI: InChI=1S/C8H10O3/c1-5(2)3-6-4-7(9)11-8(6)10/h6H,1,3-4H2,2H3
• InChIKey: ANPMHDUGFOMMJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylprop-2-en-1-yl)oxolane-2,5-dione
• IUPAC Traditional name: 3-(2-methylprop-2-en-1-yl)oxolane-2,5-dione
• Synonyms: Isobutenylsuccinic anhydride; 异丁烯基琥珀酸酐

Database IDs

• CAS Number: 18908-20-8
• MDL Number: MFCD00075477
• PubChem SID: 162240192
• PubChem CID: 225375

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.107186
• LogD (pH = 7.4): 1.107186
• Log P: 1.107186
• Molar Refractivity: 38.4342 cm^3
• Polarizability: 15.368902 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C8H10O3