hexadecyl tetradec-9-enoate

• ChemBase ID: 126477
• Molecular Formular: C30H58O2
• Molecular Mass: 450.78032
• Monoisotopic Mass: 450.4436811
• SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCC
• InChI: InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12H,3-9,11,13-29H2,1-2H3
• InChIKey: DYIOQMKBBPSAFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecyl tetradec-9-enoate
• IUPAC Traditional name: cetyl myristoleate
• Synonyms: Cetyl myristoleate

Database IDs

• CAS Number: 64660-84-0
• PubChem SID: 162220810
• PubChem CID: 6443825; 5476936
• Chemspider ID: 4947787
• Wikipedia Title: Cetyl_myristoleate

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