ethyl 3,3-diethoxyprop-2-enoate

• ChemBase ID: 294197
• Molecular Formular: C9H16O4
• Molecular Mass: 188.22094
• Monoisotopic Mass: 188.10485899
• SMILES: O=C(OCC)C=C(OCC)OCC
• Canonical SMILES: CCOC(=O)C=C(OCC)OCC
• InChI: InChI=1S/C9H16O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h7H,4-6H2,1-3H3
• InChIKey: POJGRKZMYVJCST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3,3-diethoxyprop-2-enoate
• IUPAC Traditional name: ethyl 3,3-diethoxyprop-2-enoate
• Synonyms: Ethyl 3,3-diethoxyacrylate

Database IDs

• CAS Number: 32002-24-7
• MDL Number: MFCD00012220
• PubChem SID: 180679728
• PubChem CID: 169388

CALCULATED PROPERTIES

• Molar Refractivity: 59.0649 cm^3
• Polarizability: 19.253998 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8959224
• LogD (pH = 7.4): 1.8959224
• Log P: 1.8959224

PROPERTIES

Product Information

• Purity: 95+%