cyclohexyl octadec-9-enoate

• ChemBase ID: 110236
• Molecular Formular: C24H44O2
• Molecular Mass: 364.60496
• Monoisotopic Mass: 364.33413065
• SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC1CCCCC1
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC1CCCCC1
• InChI: InChI=1S/C24H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h9-10,23H,2-8,11-22H2,1H3
• InChIKey: QCVAKNDTJPGTAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl octadec-9-enoate
• IUPAC Traditional name: cyclohexyl octadec-9-enoate
• Synonyms: CYCLOHEXYL OLEATE

Database IDs

• PubChem SID: 162106368
• PubChem CID: 12739679

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.728963
• LogD (pH = 7.4): 8.728963
• Log P: 8.728963
• Molar Refractivity: 113.1855 cm^3
• Polarizability: 44.7633 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05214206

MP Biomedicals Rare Chemical collection