prop-2-en-1-yl undec-10-enoate

• ChemBase ID: 106847
• Molecular Formular: C14H24O2
• Molecular Mass: 224.33916
• Monoisotopic Mass: 224.17763001
• SMILES: C=CCCCCCCCCC(=O)OCC=C
• Canonical SMILES: C=CCCCCCCCCC(=O)OCC=C
• InChI: InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-4H,1-2,5-13H2
• InChIKey: VJOZUTGJXVDWDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-yl undec-10-enoate
• IUPAC Traditional name: prop-2-en-1-yl undec-10-enoate
• Synonyms: ALLYL UNDECYLENATE

Database IDs

• CAS Number: 7493-76-7
• EC Number: 231-337-3
• PubChem SID: 162087234
• PubChem CID: 61412

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6068954
• LogD (pH = 7.4): 4.6068954
• Log P: 4.6068954
• Molar Refractivity: 68.0545 cm^3
• Polarizability: 26.80818 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201628

MP Biomedicals Rare Chemical collection