undecyl prop-2-enoate

• ChemBase ID: 112254
• Molecular Formular: C14H26O2
• Molecular Mass: 226.35504
• Monoisotopic Mass: 226.19328007
• SMILES: CCCCCCCCCCCOC(=O)C=C
• Canonical SMILES: CCCCCCCCCCCOC(=O)C=C
• InChI: InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h4H,2-3,5-13H2,1H3
• InChIKey: RRLMGCBZYFFRED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecyl prop-2-enoate
• IUPAC Traditional name: undecyl prop-2-enoate
• Synonyms: UNDECYL ACRYLATE

Database IDs

• CAS Number: 20690-61-3
• PubChem SID: 162097224
• PubChem CID: 88654

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3480544
• LogD (pH = 7.4): 5.3480544
• Log P: 5.3480544
• Molar Refractivity: 68.1411 cm^3
• Polarizability: 27.045694 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05223169

MP Biomedicals Rare Chemical collection