octadec-9-en-1-yl dodecanoate

• ChemBase ID: 110978
• Molecular Formular: C30H58O2
• Molecular Mass: 450.78032
• Monoisotopic Mass: 450.4436811
• SMILES: CCCCCCCCCCCC(=O)OCCCCCCCC/C=C/CCCCCCCC
• Canonical SMILES: CCCCCCCCCCCC(=O)OCCCCCCCC/C=C/CCCCCCCC
• InChI: InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h15-16H,3-14,17-29H2,1-2H3
• InChIKey: UGHVFDVVZRNMHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadec-9-en-1-yl dodecanoate
• IUPAC Traditional name: octadec-9-en-1-yl dodecanoate
• Synonyms: OLEYL LAURATE

Database IDs

• PubChem SID: 162106436
• PubChem CID: 6538032

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 11.810141
• LogD (pH = 7.4): 11.810141
• Log P: 11.810141
• Molar Refractivity: 142.8529 cm^3
• Polarizability: 56.579586 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 27
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05217297

MP Biomedicals Rare Chemical collection