dec-9-yn-1-ol

• ChemBase ID: 111087
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: OCCCCCCCCC#C
• Canonical SMILES: OCCCCCCCCC#C
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h1,11H,3-10H2
• InChIKey: KOAOUMQUUZNRLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-9-yn-1-ol
• IUPAC Traditional name: dec-9-yn-1-ol
• Synonyms: 9-DECYN-1-OL

Database IDs

• CAS Number: 17643-36-6
• EC Number: 217-102-8
• PubChem SID: 162096540
• PubChem CID: 543752

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.665579
• LogD (pH = 7.4): 2.665579
• Log P: 2.665579
• Molar Refractivity: 48.2025 cm^3
• Polarizability: 18.679144 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TP8710000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

DETAILS

MP Biomedicals - 05217681

MP Biomedicals Rare Chemical collection