cyclopentadecanol

• ChemBase ID: 295522
• Molecular Formular: C15H30O
• Molecular Mass: 226.3981
• Monoisotopic Mass: 226.22966558
• SMILES: C1CCCCCCCC(CCCCCC1)O
• Canonical SMILES: OC1CCCCCCCCCCCCCC1
• InChI: InChI=1S/C15H30O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h15-16H,1-14H2
• InChIKey: FFVHXGZXDRXFLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentadecanol
• IUPAC Traditional name: cyclopentadecanol
• Synonyms: Hydroxycyclopentadecane; Cyclopentadecanol; 环十五(烷)酰

Database IDs

• CAS Number: 4727-17-7
• EC Number: 225-221-1
• MDL Number: MFCD00039425
• PubChem SID: 180681053
• PubChem CID: 107327

CALCULATED PROPERTIES

• Acid pKa: 18.484173
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.281811
• LogD (pH = 7.4): 5.281811
• Log P: 5.281811
• Molar Refractivity: 70.6845 cm^3
• Polarizability: 28.2752 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.93

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98%