2-ethoxyprop-1-ene

• ChemBase ID: 65047
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: C(=C)(OCC)C
• Canonical SMILES: CCOC(=C)C
• InChI: InChI=1S/C5H10O/c1-4-6-5(2)3/h2,4H2,1,3H3
• InChIKey: FSGHEPDRMHVUCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyprop-1-ene
• IUPAC Traditional name: 2-ethoxyprop-1-ene
• Synonyms: 2-Ethoxy-1-propene

Database IDs

• CAS Number: 926-66-9
• MDL Number: MFCD00048576
• PubChem SID: 162030786
• PubChem CID: 136710

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0583712
• LogD (pH = 7.4): 1.0583712
• Log P: 1.0583712
• Molar Refractivity: 27.2724 cm^3
• Polarizability: 10.393685 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%