4-(prop-2-enoyloxy)buta-1,2-dien-1-yl prop-2-enoate

• ChemBase ID: 112430
• Molecular Formular: C10H10O4
• Molecular Mass: 194.184
• Monoisotopic Mass: 194.0579088
• SMILES: O(CC=C=COC(=O)C=C)C(=O)C=C
• Canonical SMILES: C=CC(=O)OCC=C=COC(=O)C=C
• InChI: InChI=1S/C10H10O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-5,8H,1-2,7H2
• InChIKey: OHVNUBFWKPYHIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-enoyloxy)buta-1,2-dien-1-yl prop-2-enoate
• IUPAC Traditional name: 4-(prop-2-enoyloxy)buta-1,2-dien-1-yl prop-2-enoate
• Synonyms: 2-BUTENE-1,4-DIACRYLATE

Database IDs

• PubChem SID: 162106672
• PubChem CID: 71300211

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1903868
• LogD (pH = 7.4): 2.1903868
• Log P: 2.1903868
• Molar Refractivity: 51.2818 cm^3
• Polarizability: 19.436909 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105°C

DETAILS

MP Biomedicals - 05223902

MP Biomedicals Rare Chemical collection