hexadec-7-yn-1-ol

• ChemBase ID: 295786
• Molecular Formular: C16H30O
• Molecular Mass: 238.4088
• Monoisotopic Mass: 238.22966558
• SMILES: CCCCCCCCC#CCCCCCCO
• Canonical SMILES: CCCCCCCCC#CCCCCCCO
• InChI: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-8,11-16H2,1H3
• InChIKey: UFLJPANUONDNPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadec-7-yn-1-ol
• IUPAC Traditional name: hexadec-7-yn-1-ol
• Synonyms: 7-Hexadecyn-1-ol; 7-十六-1-醇

Database IDs

• CAS Number: 822-21-9
• MDL Number: MFCD00041709
• PubChem SID: 180681317
• PubChem CID: 549047

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.7248526
• LogD (pH = 7.4): 5.7248526
• Log P: 5.7248526
• Molar Refractivity: 76.7083 cm^3
• Polarizability: 29.754961 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: 1.4640

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%