2-butoxyethyl prop-2-enoate

• ChemBase ID: 109822
• Molecular Formular: C9H16O3
• Molecular Mass: 172.22154
• Monoisotopic Mass: 172.10994437
• SMILES: CCCCOCCOC(=O)C=C
• Canonical SMILES: CCCCOCCOC(=O)C=C
• InChI: InChI=1S/C9H16O3/c1-3-5-6-11-7-8-12-9(10)4-2/h4H,2-3,5-8H2,1H3
• InChIKey: PTJDGKYFJYEAOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxyethyl prop-2-enoate
• IUPAC Traditional name: 2-butoxyethyl prop-2-enoate
• Synonyms: 2-n-BUTOXYETHYL ACRYLATE

Database IDs

• CAS Number: 7251-90-3
• PubChem SID: 162095358
• PubChem CID: 23688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1890981
• LogD (pH = 7.4): 2.1890981
• Log P: 2.1890981
• Molar Refractivity: 46.9776 cm^3
• Polarizability: 18.530785 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212719

MP Biomedicals Rare Chemical collection