dodecyl hexadec-9-enoate

• ChemBase ID: 104475
• Molecular Formular: C28H54O2
• Molecular Mass: 422.72716
• Monoisotopic Mass: 422.41238097
• SMILES: CCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCC
• Canonical SMILES: CCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCC
• InChI: InChI=1S/C28H54O2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28(29)30-27-25-23-21-19-14-12-10-8-6-4-2/h13,15H,3-12,14,16-27H2,1-2H3
• InChIKey: CDXFYPWJGOODOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyl hexadec-9-enoate
• IUPAC Traditional name: dodecyl hexadec-9-enoate
• Synonyms: Lauryl palmitoleate; PALMITOLEIC ACID LAURYL ESTER

Database IDs

• CAS Number: 108321-49-9
• PubChem SID: 162091928
• PubChem CID: 6017053

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

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02156047

Purity: 99%