octadec-9-en-1-yl decanoate

• ChemBase ID: 110970
• Molecular Formular: C28H54O2
• Molecular Mass: 422.72716
• Monoisotopic Mass: 422.41238097
• SMILES: CCCCCCCCCC(=O)OCCCCCCCC/C=C/CCCCCCCC
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCCOC(=O)CCCCCCCCC
• InChI: InChI=1S/C28H54O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-10-8-6-4-2/h14-15H,3-13,16-27H2,1-2H3
• InChIKey: YDQHQURZVOIGHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadec-9-en-1-yl decanoate
• IUPAC Traditional name: octadec-9-en-1-yl decanoate
• Synonyms: OLEYL CAPRATE

Database IDs

• PubChem SID: 162106424
• PubChem CID: 71300204

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 10.921003
• LogD (pH = 7.4): 10.921003
• Log P: 10.921003
• Molar Refractivity: 133.6509 cm^3
• Polarizability: 52.88674 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05217261

MP Biomedicals Rare Chemical collection