prop-2-en-1-yl 10-(3-hexyloxiran-2-yl)decanoate

• ChemBase ID: 112566
• Molecular Formular: C21H38O3
• Molecular Mass: 338.52462
• Monoisotopic Mass: 338.28209508
• SMILES: CCCCCCC1OC1CCCCCCCCCC(=O)OCC=C
• Canonical SMILES: CCCCCCC1OC1CCCCCCCCCC(=O)OCC=C
• InChI: InChI=1S/C21H38O3/c1-3-5-6-12-15-19-20(24-19)16-13-10-8-7-9-11-14-17-21(22)23-18-4-2/h4,19-20H,2-3,5-18H2,1H3
• InChIKey: FHPYFLUXCKJVCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-yl 10-(3-hexyloxiran-2-yl)decanoate
• IUPAC Traditional name: prop-2-en-1-yl 10-(3-hexyloxiran-2-yl)decanoate
• Synonyms: ALLYL-11,12-EPOXY STEARATE TECHNICAL GRADE

Database IDs

• PubChem SID: 162106799
• PubChem CID: 44135760

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.722945
• LogD (pH = 7.4): 6.722945
• Log P: 6.722945
• Molar Refractivity: 99.7383 cm^3
• Polarizability: 39.898647 Å^3
• Polar Surface Area: 38.83 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Grade: TECHNICAL

DETAILS

MP Biomedicals - 05224666

MP Biomedicals Rare Chemical collection