octyl 2-cyanoprop-2-enoate

• ChemBase ID: 128705
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: N#CC(=C)C(=O)OCCCCCCCC
• Canonical SMILES: CCCCCCCCOC(=O)C(=C)C#N
• InChI: InChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-15-12(14)11(2)10-13/h2-9H2,1H3
• InChIKey: RPQUGMLCZLGZTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octyl 2-cyanoprop-2-enoate
• IUPAC Traditional name: dermabond
• Synonyms: Ocrylate; Octyl 2-cyanoacrylate; Octyl cyanoacrylate

Database IDs

• CAS Number: 6701-17-3
• PubChem SID: 162223011
• PubChem CID: 23167
• Chemspider ID: 21678
• Wikipedia Title: Octyl_cyanoacrylate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.826207
• LogD (pH = 7.4): 3.826207
• Log P: 3.826207
• Molar Refractivity: 59.3917 cm^3
• Polarizability: 23.196735 Å^3
• Polar Surface Area: 50.09 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: Colorless liquid